DE(ETHOXYCARBONYL)TORCETRAPIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H21F9N2O2
Molecular Weight	528.4107
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DE(ETHOXYCARBONYL)TORCETRAPIB

Structure Search

SMILES

CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C3=C(N1)C=CC(=C3)C(F)(F)F

InChI

InChIKey=VKGMSGGTFAIQOE-APWZRJJASA-N

InChI=1S/C23H21F9N2O2/c1-3-16-10-19(17-9-13(21(24,25)26)4-5-18(17)33-16)34(20(35)36-2)11-12-6-14(22(27,28)29)8-15(7-12)23(30,31)32/h4-9,16,19,33H,3,10-11H2,1-2H3/t16-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H21F9N2O2
Molecular Weight	528.4107
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 16:09:33 UTC 2023` Edited by `admin` on `Sat Dec 16 16:09:33 UTC 2023`
Record UNII	6G3ZK0EKY4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DE(ETHOXYCARBONYL)TORCETRAPIB

Common Name

English

TORCETRAPIB METABOLITE M2

Common Name

English

CARBAMIC ACID, ((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)((2R,4S)-2-ETHYL-1,2,3,4-TETRAHYDRO-6-(TRIFLUOROMETHYL)-4-QUINOLINYL)-, METHYL ESTER

Systematic Name

English

CARBAMIC ACID, N-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)-N-((2R,4S)-2-ETHYL-1,2,3,4-TETRAHYDRO-6-(TRIFLUOROMETHYL)-4-QUINOLINYL)-, METHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

6G3ZK0EKY4

Created by admin on Sat Dec 16 16:09:34 UTC 2023 , Edited by admin on Sat Dec 16 16:09:34 UTC 2023

PRIMARY

PUBCHEM

89386392

Created by admin on Sat Dec 16 16:09:34 UTC 2023 , Edited by admin on Sat Dec 16 16:09:34 UTC 2023

PRIMARY

CAS

849818-43-5

Created by admin on Sat Dec 16 16:09:34 UTC 2023 , Edited by admin on Sat Dec 16 16:09:34 UTC 2023

PRIMARY

Related Record Type Details


					4N4457MV2U

TORCETRAPIB

PARENT -> METABOLITE

Qualification:

PLASMA

Amount:


					4N4457MV2U

TORCETRAPIB

PARENT -> METABOLITE

Comments:

Other peaks (M2, M6A and M6B, M7, M12, M13, M24, and M25) represented <2% of the dose.

Qualification:

FECAL

Amount: