BMY-21950   Click here for help

GtoPdb Ligand ID: 2981

Synonyms: BMY 21950 | BMY21950 | compound 4 [PMID: 1992149]
Compound class: Synthetic organic
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES OC(CC(C=CC(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C)O)CC(=O)[O-].[Na+]
Isomeric SMILES O[C@@H](C[C@H](/C=C/C(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C)O)CC(=O)[O-].[Na+]
InChI InChI=1S/C23H22F2N4O4.Na/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15;/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33);/q;+1/p-1/b11-10+;/t18-,19-;/m0./s1
InChI Key NTDIRNUKAZNMSW-IYVGUKHKSA-M
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
sodium (3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoate
Synonyms Click here for help
BMY 21950 | BMY21950 | compound 4 [PMID: 1992149]
Database Links Click here for help
CAS Registry No. 129829-03-4 (source: Scifinder)
GtoPdb PubChem SID 135649775
PubChem CID 23665941
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