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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25F9N2O4
Molecular Weight 600.4733
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TORCETRAPIB

SMILES

CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C3=C1C=CC(=C3)C(F)(F)F

InChI

InChIKey=CMSGWTNRGKRWGS-NQIIRXRSSA-N
InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1

HIDE SMILES / InChI
Molecular Formula C26H25F9N2O4
Molecular Weight 600.4733
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:05:15 UTC 2023
Edited
by admin
on Fri Dec 15 16:05:15 UTC 2023
Record UNII
4N4457MV2U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TORCETRAPIB
INN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
torcetrapib [INN]
Common Name English
Torcetrapib [WHO-DD]
Common Name English
CP-529414
Code English
TORCETRAPIB [MI]
Common Name English
TORCETRAPIB [USAN]
Common Name English
Ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate
Systematic Name English
CP-529,414
Code English
TORCETRAPIB [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29703
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
Code System Code Type Description
CAS
262352-17-0
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
WIKIPEDIA
TORCETRAPIB
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
USAN
NN-58
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID20180873
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
FDA UNII
4N4457MV2U
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
SMS_ID
100000089212
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
MESH
C483909
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
PUBCHEM
159325
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
DRUG BANK
DB06281
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
MERCK INDEX
m10978
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C91058
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
ChEMBL
CHEMBL479527
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
EVMPD
SUB25213
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
INN
8268
Created by admin on Fri Dec 15 16:05:15 UTC 2023 , Edited by admin on Fri Dec 15 16:05:15 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
Structure of TORCETRAPIB ETHANOLATE
SOLVATE->ANHYDROUS
Structure of TORCETRAPIB
EXCRETED UNCHANGED
FECAL
CHOLESTERYL ESTER TRANSFER PROTEIN
TARGET -> INHIBITOR
SELECTIVE
Related Record Type Details
Structure of DE(ETHOXYCARBONYL)-2-HYDROXYETHOXYCARBONYL-TORCETRAPIB
METABOLITE -> PARENT
Other peaks (M2, M6A and M6B, M7, M12, M13, M24, and M25) represented <2% of the dose
FECAL
Structure of 2-(6-(TRIFLUOROMETHYL)QUINOLIN-2-YL)ETHANOL
METABOLITE -> PARENT
Structure of 6-(TRIFLUOROMETHYL)-2-QUINOLINECARBOXYLIC ACID
METABOLITE -> PARENT
PLASMA
Structure of 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID
METABOLITE -> PARENT
URINE
Structure of DE(ETHOXYCARBONYL)TORCETRAPIB
METABOLITE -> PARENT
Other peaks (M2, M6A and M6B, M7, M12, M13, M24, and M25) represented <2% of the dose.
FECAL
Structure of 6-(TRIFLUOROMETHYL)-2-QUINOLINECARBOXYLIC ACID
METABOLITE -> PARENT
URINE
Structure of N-(AMINOCARBONYL)-6-(TRIFLUOROMETHYL)-2-QUINOLINECARBOXAMIDE
METABOLITE -> PARENT
URINE
Structure of DE(ETHOXYCARBONYL)-CARBOXYMETHYLOXYCARBONYL-TORCETRAPIB
METABOLITE -> PARENT
Other peaks (M2, M6A and M6B, M7, M12, M13, M24, and M25) represented <2% of the dose
FECAL
Structure of DE(METHOXYCARBONYL)-DE(ETHOXYCARBONYL)TORCETRAPIB
METABOLITE -> PARENT
FECAL
Structure of 2-METHYL-6-(TRIFLUOROMETHYL)QUINOLINE
METABOLITE -> PARENT
PLASMA
Structure of DE(ETHOXYCARBONYL)TORCETRAPIB
METABOLITE -> PARENT
Other peaks (M2, M6A and M6B, M7, M12, M13, M24, and M25) represented <2% of the dose.
FECAL
Related Record Type Details
Structure of TORCETRAPIB
ACTIVE MOIETY
Modest decreases in LDL and increases in HDL levels were observed, but trials were halted due to progression of coronary atherosclerosis and an increase in mortality.
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

DOSE

Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

DOSE

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