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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,8S)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID

SMILES

O[C@@H]1[C@@H]2CC[C@H]1[C@H]3[C@@H]2C(=O)N(C[C@@H]4CCCC[C@H]4C(O)=O)C3=O

InChI

InChIKey=BEXKKQJRYXLGSL-QDEYISRKSA-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

Molecular Formula C17H23NO5
Molecular Weight 321.3682
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 03:35:56 GMT 2025
Edited
by admin
on Wed Apr 02 03:35:56 GMT 2025
Record UNII
6UZ3937LJP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R,2R)-2-(((3AR,4R,7S,7AS,8S)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Systematic Name English
LURASIDONE METABOLITE M6
Preferred Name English
Code System Code Type Description
CAS
1796569-34-0
Created by admin on Wed Apr 02 03:35:56 GMT 2025 , Edited by admin on Wed Apr 02 03:35:56 GMT 2025
PRIMARY
FDA UNII
6UZ3937LJP
Created by admin on Wed Apr 02 03:35:56 GMT 2025 , Edited by admin on Wed Apr 02 03:35:56 GMT 2025
PRIMARY
Related Record Type Details
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