Chemical Compound

QMZKYSHPSMTADQ-WPPWBAFASA-N

QMZKYSHPSMTADQ-WPPWBAFASA-N chemical structure
Primary Record

QMZKYSHPSMTADQ-WPPWBAFASA-N

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
118435679
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)C6=CC[C@](CC6)(CF)C(=O)O)C)C)NC(CN)C(F)(F)F
Canonical SMILES
C=C(C)[C@@H]1CC[C@]2(NC(CN)C(F)(F)F)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Names & Synonyms

  • QMZKYSHPSMTADQ-WPPWBAFASA-N
  • CHEMBL5859362
  • SCHEMBL17162530
  • BDBM372384
  • US10245275, Example 39
  • US10245275, Example 40
  • (1S)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[[1-(aminomethyl)-2,2,2-trifluoro-ethyl]amino]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid
  • (1S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((3-amino-1,1,1-trifluoropropan-2-yl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-1-(fluoromethyl)cyclohex-3-enecarboxylic acid