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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 of ROCACETRAPIB

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 Sat Dec 16 12:43:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:49 GMT 2023
Record UNII
K9SP3L3YQP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROCACETRAPIB
INN  
Official 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
CKD-519
Code English
Code System Code Type Description
CAS
1402796-27-3
Created by admin on Sat Dec 16 12:43:49 GMT 2023 , Edited by admin on Sat Dec 16 12:43:49 GMT 2023
PRIMARY
NCI_THESAURUS
C170369
Created by admin on Sat Dec 16 12:43:49 GMT 2023 , Edited by admin on Sat Dec 16 12:43:49 GMT 2023
PRIMARY
FDA UNII
K9SP3L3YQP
Created by admin on Sat Dec 16 12:43:49 GMT 2023 , Edited by admin on Sat Dec 16 12:43:49 GMT 2023
PRIMARY
SMS_ID
100000183600
Created by admin on Sat Dec 16 12:43:49 GMT 2023 , Edited by admin on Sat Dec 16 12:43:49 GMT 2023
PRIMARY
DRUG BANK
DB15437
Created by admin on Sat Dec 16 12:43:49 GMT 2023 , Edited by admin on Sat Dec 16 12:43:49 GMT 2023
PRIMARY
INN
10841
Created by admin on Sat Dec 16 12:43:49 GMT 2023 , Edited by admin on Sat Dec 16 12:43:49 GMT 2023
PRIMARY
PUBCHEM
70674853
Created by admin on Sat Dec 16 12:43:49 GMT 2023 , Edited by admin on Sat Dec 16 12:43:49 GMT 2023
PRIMARY
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