TORCETRAPIB ETHANOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25F9N2O4.C2H6O
Molecular Weight	646.5418
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCO.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=CC(=CC=C13)C(F)(F)F

InChI

InChIKey=WGLUDAOFIMTWAM-WKOQGQMTSA-N

InChI=1S/C26H25F9N2O4.C2H6O/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;1-2-3/h6-11,18,21H,4-5,12-13H2,1-3H3;3H,2H2,1H3/t18-,21+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2H6O
Molecular Weight	46.0684
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:33:53 GMT 2023` Edited by `admin` on `Sat Dec 16 18:33:53 GMT 2023`
Record UNII	76PSR0VBQH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TORCETRAPIB ETHANOLATE

Common Name

English

1(2H)-QUINOLINECARBOXYLIC ACID, 4-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)(METHOXYCARBONYL)AMINO)-2-ETHYL-3,4-DIHYDRO-6-(TRIFLUOROMETHYL)-, ETHYL ESTER, COMPD. WITH ETHANOL (1:1), (2R,4S)-

Common Name

English

TORCETRAPIB ETHANOLATE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m10978

Created by admin on Sat Dec 16 18:33:53 GMT 2023 , Edited by admin on Sat Dec 16 18:33:53 GMT 2023

PRIMARY

Merck Index

CAS

343798-00-5

Created by admin on Sat Dec 16 18:33:53 GMT 2023 , Edited by admin on Sat Dec 16 18:33:53 GMT 2023

PRIMARY

FDA UNII

76PSR0VBQH

Created by admin on Sat Dec 16 18:33:53 GMT 2023 , Edited by admin on Sat Dec 16 18:33:53 GMT 2023

PRIMARY

PUBCHEM

15547299

Created by admin on Sat Dec 16 18:33:53 GMT 2023 , Edited by admin on Sat Dec 16 18:33:53 GMT 2023

PRIMARY

Related Record Type Details


					4N4457MV2U

TORCETRAPIB

ANHYDROUS->SOLVATE