{ "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": "ec686329-16da-43ac-9b94-4f51fdf29e93", "code": "22884-95-3", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=22884-95-3", "code_system": "CAS", "references": [ "bdae9c36-7145-40be-8808-469ea7531658", "95a1f94d-3bc2-4030-a2a5-375094b1adb9" ] }, { "uuid": "833b6997-6b7e-4477-9613-121172aeb3c0", "code": "245-293-8", "type": "PRIMARY", "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.041.161", "code_system": "ECHA (EC/EINECS)", "references": [ "bdae9c36-7145-40be-8808-469ea7531658" ] }, { "uuid": "9cb9890e-f0e3-4145-be50-33bb25fa6198", "code": "89884", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/89884", "code_system": "PUBCHEM", "references": [ "bdae9c36-7145-40be-8808-469ea7531658" ] }, { "uuid": "6f939a97-9867-3846-4eab-f388b5492a62", "code": "DTXSID80177426", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID80177426", "code_system": "EPA CompTox", "references": [ "0b524739-d1c3-eab9-aaa5-a545c53860e8" ] }, { "uuid": "71e593e5-31f5-4903-b1ef-c7cca507c4bd", "code": "9478C1670I", "type": "PRIMARY", "code_system": "FDA UNII" } ], "substance_class": "chemical", "names": [ { "uuid": "bf16a7b4-f3e3-49a2-84e2-16904dfcb18b", "name": "BENZONITRILE, 3,4-DIMETHYL-", "stdName": "BENZONITRILE, 3,4-DIMETHYL-", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "3fb8c0c0-2612-4aea-a209-8f799884be91" ], "display_name": true } ], "references": [ { "uuid": "3fb8c0c0-2612-4aea-a209-8f799884be91", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "bdae9c36-7145-40be-8808-469ea7531658", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391222000, "tags": [ "NOMEN" ] }, { "uuid": "660ad079-4a7e-4af7-adba-ec05c425a521", "citation": "SRS import [9478C1670I]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=9478C1670I", "doc_type": "SRS", "public_domain": true, "document_date": 1493391222000, "tags": [ "NOMEN" ] }, { "uuid": "775fcfee-13c5-416c-b0c1-b03fa287cdc8", "citation": "CHEMID 2011", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "0b524739-d1c3-eab9-aaa5-a545c53860e8", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=22884-95-3", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "95a1f94d-3bc2-4030-a2a5-375094b1adb9", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "26982d31-4e30-4688-b970-930bac45f5ff", "id": "26982d31-4e30-4688-b970-930bac45f5ff", "molfile": "\n Marvin 01132102082D \n\n 10 10 0 0 0 0 999 V2000\n 7.2491 -5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5380 -4.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8269 -5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1157 -4.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1157 -4.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8269 -3.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5380 -4.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2491 -3.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4089 -3.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7187 -3.2585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 7 2 2 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 6 5 2 0 0 0 0\n 5 9 1 0 0 0 0\n 7 6 1 0 0 0 0\n 8 7 1 0 0 0 0\n 9 10 3 0 0 0 0\nM END", "smiles": "Cc1ccc(cc1C)C#N", "formula": "C9H9N", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "1597b006-c5bd-490f-baaa-3cb2b28c6144" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "131.1748", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "1033217a-5c46-4ea3-a18d-2b62a5e8111a", "version": "3", "structure": { "id": "2b550f65-ae98-44ce-ad73-e9fe672e9b52", "molfile": "\n Marvin 01132102212D \n\n 10 10 0 0 0 0 999 V2000\n 3.7187 -3.2585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4089 -3.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5380 -4.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5380 -4.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8269 -3.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1157 -4.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8269 -5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1157 -4.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2491 -3.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2491 -5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 3 0 0 0 0\n 3 5 1 0 0 0 0\n 4 7 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 2 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 6 1 0 0 0 0\n 9 3 1 0 0 0 0\n 10 4 1 0 0 0 0\n 3 4 2 0 0 0 0\nM END", "smiles": "Cc1ccc(cc1C)C#N", "formula": "C9H9N", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "131.1748", "optical_activity": "NONE", "references": [ "660ad079-4a7e-4af7-adba-ec05c425a521", "775fcfee-13c5-416c-b0c1-b03fa287cdc8" ], "stereo_centers": 0 }, "unii": "9478C1670I" } ] }