CAS 164656-20-6

(3S,3aS,5aS,6R,9aS,9bS)-3-[[[2,5-Bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic acid

Description:

The chemical substance with the name "(3S,3aS,5aS,6R,9aS,9bS)-3-[[[2,5-Bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic acid" and CAS number "164656-20-6" is a complex organic compound characterized by its multi-ring structure and specific stereochemistry. It features a dodecahydrobenz[e]indene core, which contributes to its unique three-dimensional shape and potential biological activity. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its interaction with biological targets. Additionally, the amino and carbonyl functional groups suggest potential reactivity and solubility characteristics, making it of interest in medicinal chemistry. The compound's stereochemical configuration indicates that it may exhibit specific interactions with biological receptors, potentially leading to varied pharmacological effects. Overall, this substance exemplifies the intricate relationship between molecular structure and biological activity, making it a candidate for further research in drug development and therapeutic applications.

Formula: C₂₇H₃₁F₆NO₄

InChI: InChI=1S/C27H31F6NO4/c1-24-11-9-17-15(4-8-21(35)25(17,2)12-10-22(36)37)16(24)6-7-19(24)23(38)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,13,15-17,19H,4,6-12H2,1-2H3,(H,34,38)(H,36,37)/t15-,16-,17-,19+,24-,25+/m0/s1

InChI key: InChIKey=MBYIOMUJPQFEQG-ULLAOQFFSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@](CCC(O)=O)(C)C(=O)CC3)(CC1)[H])[H])(CC[C@@H]2C(NC4=C(C(F)(F)F)C=CC(C(F)(F)F)=C4)=O)[H]

Synonyms:

• (3S,3aS,5aS,6R,9aS,9bS)-3-[[[2,5-Bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic acid
• 1H-Benz[e]indene-6-propanoic acid, 3-[[[2,5-bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-, [3S-(3α,3aα,5aβ,6β,9aα,9bβ)]-
• 1H-Benz[e]indene-6-propanoic acid, 3-[[[2,5-bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-, (3S,3aS,5aS,6R,9aS,9bS)-

Dutasteride Impurity 6

CAS: 164656-20-6

Formula: C₂₇H₃₁F₆NO₄

Molecular weight: 547.5

Ref: ST-EA-CP-D30020