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

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H22ClNO7
Molecular Weight	387.812
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

C[C@H]1CNCCC2=C1C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(Cl)C=C2

InChI

InChIKey=OTAVRLOFOBRVPL-FYIWIVKHSA-N

InChI=1S/C17H22ClNO7/c1-7-6-19-5-4-8-2-3-9(18)14(10(7)8)25-17-13(22)11(20)12(21)15(26-17)16(23)24/h2-3,7,11-13,15,17,19-22H,4-6H2,1H3,(H,23,24)/t7-,11-,12-,13+,15-,17?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H22ClNO7
Molecular Weight	387.812
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:51:12 GMT 2023` Edited by `admin` on `Sat Dec 16 14:51:12 GMT 2023`
Record UNII	WR2F7EU9VN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

LORCASERIN METABOLITE M16

Common Name

English

Code System Code Type Description

FDA UNII

WR2F7EU9VN

Created by admin on Sat Dec 16 14:51:12 GMT 2023 , Edited by admin on Sat Dec 16 14:51:12 GMT 2023

PRIMARY

PUBCHEM

165411986

Created by admin on Sat Dec 16 14:51:12 GMT 2023 , Edited by admin on Sat Dec 16 14:51:12 GMT 2023

PRIMARY

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LORCASERIN

PARENT -> METABOLITE

Qualification:

URINE

Amount: