{ "meta": { "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.", "terms": "https://open.fda.gov/terms/", "license": "https://open.fda.gov/license/", "last_updated": "2025-09-19", "results": { "skip": 0, "limit": 1, "total": 1 } }, "results": [ { "codes": [ { "uuid": "fd847936-9165-4752-9646-f050f230fb74", "code": "862189-95-5", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=862189-95-5", "code_system": "CAS", "references": [ "09880229-cf31-4f79-9813-ea3da65eacf7", "0cfc2773-a3e9-44f9-a74f-53bc3f36a82d" ] }, { "uuid": "38ceb038-0759-49bd-a4f4-c36716b98dea", "code": "C95960", "type": "PRIMARY", "url": "https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C95960", "code_system": "NCI_THESAURUS", "references": [ "09880229-cf31-4f79-9813-ea3da65eacf7" ] }, { "uuid": "ab01ba51-0658-436c-bab6-db7d83f948ad", "code": "C528396", "type": "PRIMARY", "url": "http://www.ncbi.nlm.nih.gov/mesh/67528396", "code_system": "MESH", "references": [ "09880229-cf31-4f79-9813-ea3da65eacf7" ] }, { "uuid": "661d01e7-49e1-48c5-8219-09f4a8e3afa6", "code": "MIRODENAFIL", "type": "PRIMARY", "url": "https://en.wikipedia.org/wiki/Mirodenafil", "code_system": "WIKIPEDIA", "references": [ "09880229-cf31-4f79-9813-ea3da65eacf7" ] }, { "uuid": "610a428e-9a64-4d72-b50f-a58380192bdc", "code": "8776", "type": "PRIMARY", "url": "https://extranet.who.int/soinn/mod/page/view.php?id=137&inn_n=8776", "code_system": "INN", "references": [ "09880229-cf31-4f79-9813-ea3da65eacf7" ] }, { "uuid": "c0b20f4b-59ad-40ac-b483-63f265417577", "code": "SUB181568", "type": "PRIMARY", "code_system": "EVMPD", "references": [ "09880229-cf31-4f79-9813-ea3da65eacf7" ] }, { "uuid": "25a9db9a-0f6b-c086-0adf-760bca978c05", "code": "C2127", "comments": "Pharmacologic Substance[C1909]|Enzyme Inhibitor[C471]|Phosphodiesterase Inhibitor[C744]|cGMP Phosphodiesterase Inhibitor", "type": "CONCEPT", "url": "https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C2127", "code_system": "NCI_THESAURUS", "references": [ "543ff3e5-a8de-699c-d788-9705669e6029" ] }, { "uuid": "743c3c9c-1f0e-3855-cfe5-2dab7b75e0db", "code": "135497803", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/135497803", "code_system": "PUBCHEM", "references": [ "3dd9a3c4-6012-6d6a-f24c-3526cac7b335" ] }, { "uuid": "0becc195-602e-4b0e-9238-c8d797d230b8", "code": "504G362H0H", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "a2e1d42b-22cb-7c93-d5a5-71d3945de5c9", "code": "5005", "type": "PRIMARY", "url": "https://drugcentral.org/drugcard/5005", "code_system": "DRUG CENTRAL", "references": [ "543ff3e5-a8de-699c-d788-9705669e6029" ] }, { "uuid": "2a53c42c-8fe6-db43-0ca5-c33619c35fbf", "code": "DB11792", "type": "PRIMARY", "url": "https://go.drugbank.com/drugs/DB11792", "code_system": "DRUG BANK", "references": [ "543ff3e5-a8de-699c-d788-9705669e6029" ] }, { "uuid": "2bc7bbe2-d900-ce81-c1c4-1cb15dfa8273", "code": "136049", "type": "PRIMARY", "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:136049", "code_system": "CHEBI", "references": [ "543ff3e5-a8de-699c-d788-9705669e6029" ] }, { "uuid": "c1782530-98d4-5f3e-6b88-b3ca6ceac515", "code": "100000167143", "type": "PRIMARY", "code_system": "SMS_ID", "references": [ "bcbb48b6-0873-ea00-4698-bfd6b130ff9e" ] }, { "uuid": "68df2369-b187-43dd-cc6c-cf44d8a78c68", "code": "DTXSID50881265", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID50881265", "code_system": "EPA CompTox", "references": [ "543ff3e5-a8de-699c-d788-9705669e6029" ] } ], "relationships": [ { "uuid": "2806fbde-0c46-4b03-b36e-2b11b455a3b1", "type": "ACTIVE MOIETY", "related_substance": { "uuid": "9fc43e6e-0df5-47c2-ba50-930219e8dc1a", "refuuid": "80796af2-2d61-4631-b8aa-78e9f93477ce", "name": "MIRODENAFIL", "unii": "504G362H0H", "linking_id": "504G362H0H", "ref_pname": "MIRODENAFIL", "substance_class": "reference" } }, { "uuid": "7efac1e6-a163-4ed6-ac87-9eb700566a1c", "type": "SALT/SOLVATE->PARENT", "references": [ "f9d2ca94-e761-49bf-ad7a-9a0c03172f12" ], "related_substance": { "uuid": "48cbd4b8-f129-443b-b106-265fe4de9b7c", "refuuid": "38a980ea-7863-4403-8323-ea207aab49bf", "name": "MIRODENAFIL DIHYDROCHLORIDE", "unii": "NL7L8TWT8Y", "linking_id": "NL7L8TWT8Y", "ref_pname": "MIRODENAFIL DIHYDROCHLORIDE", "substance_class": "reference" } } ], "substance_class": "chemical", "names": [ { "uuid": "a6f35e99-78bc-49d2-bc51-0f82fbee2130", "name": "5-ETHYL-2-(5-((4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)SULFONYL)-2-PROPOXYPHENYL)-7-PROPYL-3,5-DIHYDRO-4H-PYRROLO(3,2-D)PYRIMIDIN-4-ONE", "stdName": "5-ETHYL-2-(5-((4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)SULFONYL)-2-PROPOXYPHENYL)-7-PROPYL-3,5-DIHYDRO-4H-PYRROLO(3,2-D)PYRIMIDIN-4-ONE", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "f9d2ca94-e761-49bf-ad7a-9a0c03172f12" ], "display_name": false }, { "uuid": "0ce8ac23-d890-4271-8080-03b422c47096", "name": "MIRODENAFIL", "stdName": "MIRODENAFIL", "type": "of", "languages": [ "en" ], "preferred": false, "references": [ "d17c86cb-255e-4e5a-bc93-d9390580dad2", "7815c8bc-2643-40e9-9ccd-b78f0a0f7893", "428b906f-cb14-44bf-9101-4f1731eaab5e", "8cea1b0b-b1c5-4888-91c7-92207d436ce2", "7cd4006a-e12f-4ff4-84dd-32fd1c989196", "512bce58-67fa-4ef9-b7c7-c6709ca802d4" ], "display_name": true, "domains": [ "drug", "cosmetic" ], "name_orgs": [ { "uuid": "ff37d905-bcd4-440c-8881-805f10ff1af0", "name_org": "INN" }, { "uuid": "5be3799f-018f-4a4f-bbb0-216317db4963", "name_org": "INCI" } ] }, { "uuid": "0761df28-96c4-c6d4-e146-e969e0a0b25a", "name": "Mirodenafil [WHO-DD]", "stdName": "MIRODENAFIL [WHO-DD]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "25858005-ebe9-7094-dcc4-3a724e79e043" ], "display_name": false }, { "uuid": "6c7a478b-9fba-4f15-80f9-af9536f36ff3", "name": "SK-3530 FREE BASE", "stdName": "SK-3530 FREE BASE", "type": "cd", "languages": [ "en" ], "preferred": false, "references": [ "43493dbc-7817-4d34-950e-276647717725" ], "display_name": false }, { "uuid": "e4bbf2ab-080b-430e-8d64-78b6c418153a", "name": "SK3530 FREE BASE", "stdName": "SK3530 FREE BASE", "type": "cd", "languages": [ "en" ], "preferred": false, "references": [ "792ba8c9-b492-449e-ad45-a12fcf277f05" ], "display_name": false }, { "uuid": "fd5ea8ad-ad98-4aa9-838f-823d41b8d8a2", "name": "mirodenafil [INN]", "stdName": "MIRODENAFIL [INN]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "7815c8bc-2643-40e9-9ccd-b78f0a0f7893" ], "display_name": false } ], "references": [ { "uuid": "f9d2ca94-e761-49bf-ad7a-9a0c03172f12", "citation": "USP DICTIONARY 2010", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "7815c8bc-2643-40e9-9ccd-b78f0a0f7893", "citation": "INN Proposed List 95", "url": "https://www.who.int/medicines/publications/druginformation/innlists/PL95.pdf", "doc_type": "INN_LIST", "public_domain": true, "tags": [ "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "d17c86cb-255e-4e5a-bc93-d9390580dad2", "citation": "WHO-DD", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "43493dbc-7817-4d34-950e-276647717725", "citation": "Bioorganic & Medicinal Chemistry Letters Volume 17, Issue 15, 1 August 2007, Pages 4271?4274", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "792ba8c9-b492-449e-ad45-a12fcf277f05", "citation": "CLINICAL TRIALS", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "512bce58-67fa-4ef9-b7c7-c6709ca802d4", "citation": "PCPC", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "09880229-cf31-4f79-9813-ea3da65eacf7", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493390977000, "tags": [ "NOMEN" ] }, { "uuid": "d1a35beb-1f2a-4c4c-8020-5a7e5cba9233", "citation": "SRS import [504G362H0H]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=504G362H0H", "doc_type": "SRS", "public_domain": true, "document_date": 1493390977000, "tags": [ "NOMEN" ] }, { "uuid": "bd47a30a-27fc-46a9-882a-d0861e56ac6b", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "8cea1b0b-b1c5-4888-91c7-92207d436ce2", "citation": "MIRODENAFIL [INN]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "428b906f-cb14-44bf-9101-4f1731eaab5e", "citation": "MIRODENAFIL [WHO-DD]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "7cd4006a-e12f-4ff4-84dd-32fd1c989196", "citation": "MIRODENAFIL [INCI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "bcbb48b6-0873-ea00-4698-bfd6b130ff9e", "citation": "EU-SRS", "doc_type": "EMA LIST", "public_domain": true }, { "uuid": "543ff3e5-a8de-699c-d788-9705669e6029", "doc_type": "SYSTEM", "public_domain": true }, { "uuid": "0cfc2773-a3e9-44f9-a74f-53bc3f36a82d", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "3dd9a3c4-6012-6d6a-f24c-3526cac7b335", "citation": "PUBCHEM", "doc_type": "PUBCHEM", "public_domain": true }, { "uuid": "25858005-ebe9-7094-dcc4-3a724e79e043", "citation": "WHO-DD", "doc_type": "WHO DRUG DICTIONARY", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "bb9fb956-6bb7-4e0f-89e9-a560c1459d8e", "id": "bb9fb956-6bb7-4e0f-89e9-a560c1459d8e", "molfile": "\n Marvin 01132109422D \n\n 37 40 0 0 0 0 999 V2000\n 10.8047 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1931 -2.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4077 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7962 -3.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0109 -2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8371 -2.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0519 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4403 -2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6140 -3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3992 -3.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5730 -4.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3583 -4.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5321 -5.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3174 -5.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -5.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -6.6599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5914 -7.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5074 -7.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1388 -6.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6521 -6.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8271 -6.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4165 -6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5915 -6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1351 -5.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9614 -4.7756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6550 -2.1033 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9255 -1.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9752 -1.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2075 -2.7963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5840 -3.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1366 -4.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3127 -4.1826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8652 -4.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0412 -4.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5938 -5.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9361 -3.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3836 -2.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 5 6 1 0 0 0 0\n 10 5 2 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 26 8 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 12 11 2 0 0 0 0\n 11 25 1 0 0 0 0\n 13 12 1 0 0 0 0\n 13 14 2 0 0 0 0\n 15 13 1 0 0 0 0\n 15 16 1 0 0 0 0\n 24 15 2 0 0 0 0\n 16 17 1 0 0 0 0\n 16 19 1 0 0 0 0\n 17 18 1 0 0 0 0\n 19 20 2 0 0 0 0\n 20 21 1 0 0 0 0\n 24 20 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 25 24 1 0 0 0 0\n 26 27 2 0 0 0 0\n 26 28 2 0 0 0 0\n 29 26 1 0 0 0 0\n 30 29 1 0 0 0 0\n 37 29 1 0 0 0 0\n 31 30 1 0 0 0 0\n 32 31 1 0 0 0 0\n 32 33 1 0 0 0 0\n 36 32 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 1 0 0 0 0\n 37 36 1 0 0 0 0\nM END", "smiles": "CCCc1cn(CC)c2c1[nH]c(-c3cc(ccc3OCCC)S(=O)(=O)N4CCN(CC4)CCO)nc2=O", "formula": "C26H37N5O5S", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "23587c11-0583-4304-90b4-c1c2cbf7dbb0" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "531.6696", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "80796af2-2d61-4631-b8aa-78e9f93477ce", "version": "24", "structure": { "id": "371597ab-055a-4eeb-b327-38d9beb6e0aa", "molfile": "\n Marvin 01132102562D \n\n 37 40 0 0 0 0 999 V2000\n 4.3836 -2.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2075 -2.7963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5840 -3.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1366 -4.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3127 -4.1826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9361 -3.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8652 -4.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0412 -4.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5938 -5.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6550 -2.1033 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4403 -2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0519 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8371 -2.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.0109 -2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3992 -3.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6140 -3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5730 -4.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3583 -4.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5321 -5.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -5.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1351 -5.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9614 -4.7756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6521 -6.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1388 -6.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9204 -6.6599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5914 -7.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5074 -7.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8271 -6.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4165 -6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5915 -6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3174 -5.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7962 -3.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4077 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1931 -2.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8047 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9255 -1.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9752 -1.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 1 0 0 0 0\n 6 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 12 11 2 0 0 0 0\n 13 12 1 0 0 0 0\n 14 13 2 0 0 0 0\n 15 14 1 0 0 0 0\n 16 15 2 0 0 0 0\n 11 16 1 0 0 0 0\n 15 17 1 0 0 0 0\n 18 17 1 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 1 0 0 0 0\n 21 20 2 0 0 0 0\n 22 21 1 0 0 0 0\n 17 22 2 0 0 0 0\n 21 23 1 0 0 0 0\n 24 23 2 0 0 0 0\n 25 24 1 0 0 0 0\n 20 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 23 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 19 31 2 0 0 0 0\n 14 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 1 0 0 0 0\n 10 36 2 0 0 0 0\n 10 37 2 0 0 0 0\nM END", "smiles": "CCCc1cn(CC)c2c1nc(-c3cc(ccc3OCCC)S(=O)(=O)N4CCN(CC4)CCO)[nH]c2=O", "formula": "C26H37N5O5S", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "531.6696", "optical_activity": "NONE", "references": [ "bd47a30a-27fc-46a9-882a-d0861e56ac6b", "d1a35beb-1f2a-4c4c-8020-5a7e5cba9233", "7815c8bc-2643-40e9-9ccd-b78f0a0f7893" ], "stereo_centers": 0 }, "unii": "504G362H0H" } ] }