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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20ClNO8
Molecular Weight 401.796
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-2-OXO-4,5-DIHYDRO-1H-3-BENZAZEPIN-3-YL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

C[C@H]1CN(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=O)CC3=C1C=C(Cl)C=C3

InChI

InChIKey=XNPMZCMFSCQFAB-YQWRCXIDSA-N
InChI=1S/C17H20ClNO8/c1-7-6-19(11(20)4-8-2-3-9(18)5-10(7)8)27-17-14(23)12(21)13(22)15(26-17)16(24)25/h2-3,5,7,12-15,17,21-23H,4,6H2,1H3,(H,24,25)/t7-,12-,13-,14+,15-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H20ClNO8
Molecular Weight 401.796
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 18:26:18 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:18 GMT 2023
Record UNII
D94D8M36Y4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R)-6-(((5R)-7-CHLORO-5-METHYL-2-OXO-4,5-DIHYDRO-1H-3-BENZAZEPIN-3-YL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
LORCASERIN 1-CARBOXYL GLUCURONIDE
Common Name English
LORCASERIN METABOLITE M8
Common Name English
Code System Code Type Description
FDA UNII
D94D8M36Y4
Created by admin on Sat Dec 16 18:26:18 GMT 2023 , Edited by admin on Sat Dec 16 18:26:18 GMT 2023
PRIMARY
PUBCHEM
155928949
Created by admin on Sat Dec 16 18:26:18 GMT 2023 , Edited by admin on Sat Dec 16 18:26:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
M8 (1-carboxyl glucuronide) was excreted in urine greater than 10% of dose, but it was a minor metabolite in plasma.
URINE