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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H23F10NO4
Molecular Weight	639.4813
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',3'-DIHYDROXY-5'-(1-METHYLETHYL)-4-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-2-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

SMILES

CC(C)C1=CC(=C(O)C(O)=C1F)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=DFFYRGDTASCAMI-CANCMXDXSA-N

InChI=1S/C29H23F10NO4/c1-12(2)20-10-21(23(41)24(42)22(20)30)19-5-4-16(27(31,32)33)8-15(19)11-40-13(3)25(44-26(40)43)14-6-17(28(34,35)36)9-18(7-14)29(37,38)39/h4-10,12-13,25,41-42H,11H2,1-3H3/t13-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H23F10NO4
Molecular Weight	639.4813
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	204N3XHI80
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANACETRAPIB METABOLITE M2

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

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Code System

Code

Type

Description

FDA UNII

204N3XHI80

PRIMARY

PUBCHEM

11549128

PRIMARY

CAS

875550-15-5

PRIMARY

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