ADOMEGLIVANT, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H36F3NO4
Molecular Weight	555.6277
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(O[C@H](CCC(F)(F)F)C2=CC=C(C=C2)C(=O)NCCC(O)=O)=CC(C)=C1C3=CC=C(C=C3)C(C)(C)C

InChI

InChIKey=FASLTMSUPQDLIB-HHHXNRCGSA-N

InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H36F3NO4
Molecular Weight	555.6277
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:11:20 GMT 2023` Edited by `admin` on `Sat Dec 16 11:11:20 GMT 2023`
Record UNII	RIM88PH2RA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADOMEGLIVANT, (+)-

Common Name

English

.BETA.-ALANINE, N-(4-((1R)-1-((4'-(1,1-DIMETHYLETHYL)-2,6-DIMETHYL(1,1'-BIPHENYL)-4-YL)OXY)-4,4,4-TRIFLUOROBUTYL)BENZOYL)-

Systematic Name

English

Code System Code Type Description

CAS

872260-19-0

Created by admin on Sat Dec 16 11:11:20 GMT 2023 , Edited by admin on Sat Dec 16 11:11:20 GMT 2023

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FDA UNII

RIM88PH2RA

Created by admin on Sat Dec 16 11:11:20 GMT 2023 , Edited by admin on Sat Dec 16 11:11:20 GMT 2023

PRIMARY

PUBCHEM

91936837

Created by admin on Sat Dec 16 11:11:20 GMT 2023 , Edited by admin on Sat Dec 16 11:11:20 GMT 2023

PRIMARY

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ADOMEGLIVANT, (±)-

RACEMATE -> ENANTIOMER