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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

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 GMT 2023
Edited
by admin
on Sat Dec 16 14:32:41 GMT 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 GMT 2023 , Edited by admin on Sat Dec 16 14:32:41 GMT 2023
PRIMARY
PUBCHEM
156613560
Created by admin on Sat Dec 16 14:32:41 GMT 2023 , Edited by admin on Sat Dec 16 14:32:41 GMT 2023
PRIMARY
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