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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

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 GMT 2023
Edited
by admin
on Sat Dec 16 14:32:42 GMT 2023
Record UNII
8HFX2F4DWV
Record Status Validated (UNII)
Record Version
  • Download
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 GMT 2023 , Edited by admin on Sat Dec 16 14:32:42 GMT 2023
PRIMARY
PUBCHEM
156613906
Created by admin on Sat Dec 16 14:32:42 GMT 2023 , Edited by admin on Sat Dec 16 14:32:42 GMT 2023
PRIMARY
Related Record Type Details
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