(2S,3S,4S,5R)-6-(((5R)-7-CHLORO-5-METHYL-1,2,4,5-TETRAHYDRO-3-BENZAZEPIN-3-YL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H22ClNO7
Molecular Weight	387.812
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R)-6-(((5R)-7-CHLORO-5-METHYL-1,2,4,5-TETRAHYDRO-3-BENZAZEPIN-3-YL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

C[C@H]1CN(CCC2=C1C=C(Cl)C=C2)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=GIIDKNLRVWQQGT-GRXAUKGYSA-N

InChI=1S/C17H22ClNO7/c1-8-7-19(5-4-9-2-3-10(18)6-11(8)9)26-17-14(22)12(20)13(21)15(25-17)16(23)24/h2-3,6,8,12-15,17,20-22H,4-5,7H2,1H3,(H,23,24)/t8-,12-,13-,14+,15-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H22ClNO7
Molecular Weight	387.812
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:32:41 UTC 2023` Edited by `admin` on `Sat Dec 16 14:32:41 UTC 2023`
Record UNII	CG962GN3VA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2S,3S,4S,5R)-6-(((5R)-7-CHLORO-5-METHYL-1,2,4,5-TETRAHYDRO-3-BENZAZEPIN-3-YL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

LORCASERIN METABOLITE M9

Common Name

English

Code System Code Type Description

FDA UNII

CG962GN3VA

Created by admin on Sat Dec 16 14:32:41 UTC 2023 , Edited by admin on Sat Dec 16 14:32:41 UTC 2023

PRIMARY

PUBCHEM

156613560

Created by admin on Sat Dec 16 14:32:41 UTC 2023 , Edited by admin on Sat Dec 16 14:32:41 UTC 2023

PRIMARY

Related Record Type Details


					637E494O0Z

LORCASERIN

PARENT -> METABOLITE

Qualification:

URINE

Amount: