DE(METHOXYCARBONYL)-DE(ETHOXYCARBONYL)TORCETRAPIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H19F9N2
Molecular Weight	470.3746
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DE(METHOXYCARBONYL)-DE(ETHOXYCARBONYL)TORCETRAPIB

Structure Search

SMILES

CC[C@@H]1C[C@H](NCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(N1)C=CC(=C3)C(F)(F)F

InChI

InChIKey=IAESBDQXEFYNMT-QAPCUYQASA-N

InChI=1S/C21H19F9N2/c1-2-15-9-18(16-8-12(19(22,23)24)3-4-17(16)32-15)31-10-11-5-13(20(25,26)27)7-14(6-11)21(28,29)30/h3-8,15,18,31-32H,2,9-10H2,1H3/t15-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H19F9N2
Molecular Weight	470.3746
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 16:52:09 GMT 2023` Edited by `admin` on `Sat Dec 16 16:52:09 GMT 2023`
Record UNII	ZZD6LL52OI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DE(METHOXYCARBONYL)-DE(ETHOXYCARBONYL)TORCETRAPIB

Common Name

English

TORCETRAPIB METABOLITE M24

Common Name

English

Di(DECARBAMOYLATED)TORCETRAPIB

Common Name

English

4-QUINOLINAMINE, N-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)-2-ETHYL-1,2,3,4-TETRAHYDRO-6-(TRIFLUOROMETHYL)-, (2R,4S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

89386330

Created by admin on Sat Dec 16 16:52:09 GMT 2023 , Edited by admin on Sat Dec 16 16:52:09 GMT 2023

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CAS

1093621-77-2

Created by admin on Sat Dec 16 16:52:09 GMT 2023 , Edited by admin on Sat Dec 16 16:52:09 GMT 2023

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FDA UNII

ZZD6LL52OI

Created by admin on Sat Dec 16 16:52:09 GMT 2023 , Edited by admin on Sat Dec 16 16:52:09 GMT 2023

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Related Record Type Details


					4N4457MV2U

TORCETRAPIB

PARENT -> METABOLITE

Qualification:

FECAL

Amount: