ROCACETRAPIB

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H34F7NO3
Molecular Weight	601.5954
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C=C(C(C)C)C(F)=C1)C2=C(CN3[C@@H](C)[C@H](OC3=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)CC(C)(C)CC2

InChI

InChIKey=GBHPDJQHZADVAA-SOKVYYICSA-N

InChI=1S/C31H34F7NO3/c1-16(2)23-12-24(26(41-6)13-25(23)32)22-7-8-29(4,5)14-19(22)15-39-17(3)27(42-28(39)40)18-9-20(30(33,34)35)11-21(10-18)31(36,37)38/h9-13,16-17,27H,7-8,14-15H2,1-6H3/t17-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H34F7NO3
Molecular Weight	601.5954
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:40:44 GMT 2025` Edited by `admin` on `Tue Apr 01 19:40:44 GMT 2025`
Record UNII	K9SP3L3YQP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROCACETRAPIB

Official Name

English

CKD-519

Preferred Name

English

rocacetrapib [INN]

Common Name

English

2-OXAZOLIDINONE, 5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((2-(4-FLUORO-2-METHOXY-5-(1-METHYLETHYL)PHENYL)-5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)METHYL)-4-METHYL-, (4S,5R)-

Systematic Name

English

(4S,5R)-5-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((2-(4-FLUORO-2-METHOXY-5-(1-METHYLETHYL)PHENYL)-5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)METHYL)-4-METHYL-2-OXAZOLIDINONE

Systematic Name

English

Code System Code Type Description

CAS

1402796-27-3