bencisteine
chemical compound
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bencisteine
Summary
bencisteine is a group of stereoisomers[1].
Key Facts
- bencisteine's instance of is recorded as group of stereoisomers[2].
- bencisteine's CAS Registry Number is recorded as 42293-72-1[3].
- bencisteine's canonical SMILES is recorded as CC(CSCC(C(=O)O)NC(=O)C)C(=O)C1=CC=CC=C1[4].
- bencisteine's InChI is recorded as InChI=1S/C15H19NO4S/c1-10(14(18)12-6-4-3-5-7-12)8-21-9-13(15(19)20)16-11(2)17/h3-7,10,13H,8-9H2,1-2H3,(H,16,17)(H,19,20)/t10?,13-/m0/s1[5].
- bencisteine's InChIKey is recorded as FXPSJTKESYQXLX-HQVZTVAUSA-N[6].
- bencisteine's chemical formula is recorded as C₁₅H₁₉NO₄S[7].
- bencisteine's subclass of is recorded as chemical compound[8].
- bencisteine's UNII is recorded as 9205LF98OL[9].
- bencisteine's ChemSpider ID is recorded as 160709[10].
- bencisteine's PubChem CID is recorded as 184843[11].
- bencisteine's isomeric SMILES is recorded as CC(CSCC@@HNC(=O)C)C(=O)C1=CC=CC=C1C@@HNC(=O)C)C(=O)C1=CC=CC=C1">[12].
- bencisteine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+309.103'}[13].
- bencisteine's SureChEMBL ID is recorded as 11746873[14].
- bencisteine's DSSTox substance ID is recorded as DTXSID60962413[15].
- bencisteine's DSSTOX compound identifier is recorded as DTXCID601390220[16].
- bencisteine's UniChem compound ID is recorded as 31772788[17].