(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H23F10NO3
Molecular Weight	623.4819
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

SMILES

CC(C)C1=C(F)C=C(O)C(=C1)C2=C(CN3[C@@H](C)[C@H](OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C=C(C=C2)C(F)(F)F

InChI

InChIKey=XYMCQCXEGYUQJU-SXBQZSJRSA-N

InChI=1S/C29H23F10NO3/c1-13(2)21-10-22(24(41)11-23(21)30)20-5-4-17(27(31,32)33)8-16(20)12-40-14(3)25(43-26(40)42)15-6-18(28(34,35)36)9-19(7-15)29(37,38)39/h4-11,13-14,25,41H,12H2,1-3H3/t14-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H23F10NO3
Molecular Weight	623.4819
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	K9V5F9ZV6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

Systematic Name

English

ANACETRAPIB METABOLITE M1

Common Name

English

2-OXAZOLIDINONE, 5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-, (4S,5R)-

Systematic Name

English

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4'-FLUORO-2'-HYDROXY-5'-ISOPROPYL-4-(TRIFLUOROMETHYL)BIPHENYL-2-YL)METHYL)-4-METHYL-1,3-OXAZOLIDIN-2-ONE

Systematic Name

English

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Code System

Code

Type

Description

CAS

875550-05-3

PRIMARY

FDA UNII

K9V5F9ZV6H

PRIMARY

PUBCHEM

11527411

PRIMARY

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