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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23NO5
Molecular Weight 321.3682
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1R,2R)-2-(((3AR,4R,7S,7AS,8R)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID

SMILES

[H][C@@]12[C@H]3CC[C@H]([C@H]3O)[C@]1([H])C(=O)N(C[C@@H]4CCCC[C@H]4C(O)=O)C2=O

InChI

InChIKey=BEXKKQJRYXLGSL-DJQKSGLPSA-N
InChI=1S/C17H23NO5/c19-14-10-5-6-11(14)13-12(10)15(20)18(16(13)21)7-8-3-1-2-4-9(8)17(22)23/h8-14,19H,1-7H2,(H,22,23)/t8-,9+,10-,11+,12-,13+,14+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(1R,2R)-2-(((3AR,4R,7S,7AS,8R)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Systematic Name English
ID-20220
Code English
LURASIDONE METABOLITE M5
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 2-((OCTAHYDRO-8-HYDROXY-1,3-DIOXO-4,7-METHANO-2H-ISOINDOL-2-YL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
1809349-33-4
Created by admin on Sat Dec 16 15:16:50 GMT 2023 , Edited by admin on Sat Dec 16 15:16:50 GMT 2023
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FDA UNII
ZRT8JM785G
Created by admin on Sat Dec 16 15:16:50 GMT 2023 , Edited by admin on Sat Dec 16 15:16:50 GMT 2023
PRIMARY