(2S,3S,4S,5R)-3,4,5-TRIHYDROXY-6-(((1R,2R)-2-(((3AR,4R,7S,7AS)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H31NO11
Molecular Weight	497.4923
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R)-3,4,5-TRIHYDROXY-6-(((1R,2R)-2-(((3AR,4R,7S,7AS)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Structure Search

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[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C2=O

InChI

InChIKey=HIUMOMIKGCIIJE-WMTXKYQFSA-N

InChI=1S/C23H31NO11/c25-14-10-5-6-11(14)13-12(10)19(29)24(20(13)30)7-8-3-1-2-4-9(8)22(33)35-23-17(28)15(26)16(27)18(34-23)21(31)32/h8-18,23,25-28H,1-7H2,(H,31,32)/t8-,9+,10-,11+,12-,13+,14+,15-,16-,17+,18-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R)-3,4,5-TRIHYDROXY-6-(((1R,2R)-2-(((3AR,4R,7S,7AS)-8-HYDROXY-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)METHYL)CYCLOHEXANE-1-CARBONYL)OXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

LURASIDONE METABOLITE M2

Common Name

English

Code System Code Type Description

FDA UNII

RT9G375JW3

Created by admin on Sat Dec 16 15:08:51 GMT 2023 , Edited by admin on Sat Dec 16 15:08:51 GMT 2023

PRIMARY

CAS

1809325-47-0