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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

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
  • Download
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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