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

Structure Search

SMILES

C[C@H]1CNCC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=C1C=C(Cl)C=C3

InChI

InChIKey=HJGAJZWXHPJSIL-KFFYKMGTSA-N

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

HIDE SMILES / InChI

Molecular Formula	C17H22ClNO7
Molecular Weight	387.812
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:32:42 UTC 2023` Edited by `admin` on `Sat Dec 16 14:32:42 UTC 2023`
Record UNII	8HFX2F4DWV
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-1-YL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

LORCASERIN METABOLITE M12

Common Name

English

Code System Code Type Description

FDA UNII

8HFX2F4DWV

Created by admin on Sat Dec 16 14:32:42 UTC 2023 , Edited by admin on Sat Dec 16 14:32:42 UTC 2023

PRIMARY

PUBCHEM

156613906

Created by admin on Sat Dec 16 14:32:42 UTC 2023 , Edited by admin on Sat Dec 16 14:32:42 UTC 2023

PRIMARY

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LORCASERIN

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Qualification:

URINE

Amount: