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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21N3O8
Molecular Weight 431.396
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VARENICLINE CARBAMOYL GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC(=O)N2C[C@@H]3C[C@H](C2)C4=CC5=C(C=C34)N=CC=N5)C(O)=O

InChI

InChIKey=FXQDTLDLQVLSRG-UISDBUMBSA-N
InChI=1S/C20H21N3O8/c24-14-15(25)17(18(27)28)30-19(16(14)26)31-20(29)23-6-8-3-9(7-23)11-5-13-12(4-10(8)11)21-1-2-22-13/h1-2,4-5,8-9,14-17,19,24-26H,3,6-7H2,(H,27,28)/t8-,9+,14-,15-,16+,17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H21N3O8
Molecular Weight 431.396
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:12:32 GMT 2023
Edited
by admin
on Sat Dec 16 15:12:32 GMT 2023
Record UNII
94F6A84Z7Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VARENICLINE CARBAMOYL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(6,7,9,10-TETRAHYDRO-6,10-METHANO-8H-PYRAZINO(2,3-H)(3)BENZAZEPINE-8-CARBOXYLATE)
Systematic Name English
VARENICLINE METABOLITE M4
Common Name English
VARENICLINE CARBAMOYL-.BETA.-D-GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
94F6A84Z7Q
Created by admin on Sat Dec 16 15:12:32 GMT 2023 , Edited by admin on Sat Dec 16 15:12:32 GMT 2023
PRIMARY
CAS
535920-98-0
Created by admin on Sat Dec 16 15:12:32 GMT 2023 , Edited by admin on Sat Dec 16 15:12:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID20858560
Created by admin on Sat Dec 16 15:12:32 GMT 2023 , Edited by admin on Sat Dec 16 15:12:32 GMT 2023
PRIMARY
PUBCHEM
96368007
Created by admin on Sat Dec 16 15:12:32 GMT 2023 , Edited by admin on Sat Dec 16 15:12:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE