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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22ClNO8
Molecular Weight 415.822
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LORCASERIN N-CARBAMOYL GLUCURONIDE

SMILES

C[C@H]1CN(CCC2=C1C=C(Cl)C=C2)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=CAMRSOMZGDLNDE-GRXAUKGYSA-N
InChI=1S/C18H22ClNO8/c1-8-7-20(5-4-9-2-3-10(19)6-11(8)9)18(26)28-17-14(23)12(21)13(22)15(27-17)16(24)25/h2-3,6,8,12-15,17,21-23H,4-5,7H2,1H3,(H,24,25)/t8-,12-,13-,14+,15-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H22ClNO8
Molecular Weight 415.822
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 09:37:39 GMT 2023
Edited
by admin
on Sat Dec 16 09:37:39 GMT 2023
Record UNII
78RG6HPY62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LORCASERIN N-CARBAMOYL GLUCURONIDE
Common Name English
LORCASERIN METABOLITE M5
Common Name English
(2S,3S,4S,5R,6S)-6-((5R)-7-CHLORO-5-METHYL-1,2,4,5-TETRAHYDRO-3-BENZAZEPINE-3-CARBONYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((1R)-8-CHLORO-1,2,4,5-TETRAHYDRO-1-METHYL-3H-3-BENZAZEPINE-3-CARBOXYLATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
129011591
Created by admin on Sat Dec 16 09:37:39 GMT 2023 , Edited by admin on Sat Dec 16 09:37:39 GMT 2023
PRIMARY
CAS
1361544-50-4
Created by admin on Sat Dec 16 09:37:39 GMT 2023 , Edited by admin on Sat Dec 16 09:37:39 GMT 2023
PRIMARY
FDA UNII
78RG6HPY62
Created by admin on Sat Dec 16 09:37:39 GMT 2023 , Edited by admin on Sat Dec 16 09:37:39 GMT 2023
PRIMARY
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