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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 of ADOMEGLIVANT, (+)-

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
  • Download
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
PRIMARY
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
Related Record Type Details
RACEMATE -> ENANTIOMER