(2S,3S,4S,5R,6S)-6-(((1R,2R)-2-(((3AR,4S,7R,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H31NO10
Molecular Weight	481.4929
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(((1R,2R)-2-(((3AR,4S,7R,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]4CCCC[C@H]4C(=O)O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C2=O

InChI

InChIKey=VRDDJXYAMMFMPJ-NMPOMTAGSA-N

InChI=1S/C23H31NO10/c25-15-16(26)18(21(30)31)33-23(17(15)27)34-22(32)12-4-2-1-3-11(12)8-24-19(28)13-9-5-6-10(7-9)14(13)20(24)29/h9-18,23,25-27H,1-8H2,(H,30,31)/t9-,10+,11-,12+,13+,14-,15-,16-,17+,18-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(((1R,2R)-2-(((3AR,4S,7R,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

LURASIDONE METABOLITE M7

Common Name

English

Code System Code Type Description

FDA UNII

UKE5P56E4F

Created by admin on Sat Dec 16 14:41:42 GMT 2023 , Edited by admin on Sat Dec 16 14:41:42 GMT 2023

PRIMARY

PUBCHEM

155928826

Created by admin on Sat Dec 16 14:41:42 GMT 2023 , Edited by admin on Sat Dec 16 14:41:42 GMT 2023

PRIMARY

CAS

1809325-46-9

Created by admin on Sat Dec 16 14:41:42 GMT 2023 , Edited by admin on Sat Dec 16 14:41:42 GMT 2023

PRIMARY

PARENT (METABOLITE)


					22IC88528T

LURASIDONE

SUBSTANCE RECORD


					UKE5P56E4F

(2S,3S,4S,5R,6S)-6-(((1R,2R)-2-(((3AR,4S,7R,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID