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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3O5
Molecular Weight 373.403
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VARENICLINE N-GLUCOSIDE

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C[C@@H]3C[C@H](C2)C4=CC5=NC=CN=C5C=C34

InChI

InChIKey=DVIDZVKOJXFIIZ-GQFGYRESSA-N
InChI=1S/C19H23N3O5/c23-8-15-16(24)17(25)18(26)19(27-15)22-6-9-3-10(7-22)12-5-14-13(4-11(9)12)20-1-2-21-14/h1-2,4-5,9-10,15-19,23-26H,3,6-8H2/t9-,10+,15-,16-,17+,18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H23N3O5
Molecular Weight 373.403
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 11:27:52 GMT 2023
Edited
by admin
on Sat Dec 16 11:27:52 GMT 2023
Record UNII
TXW5M73PU6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VARENICLINE N-GLUCOSIDE
Common Name English
N-GLUCOSYLVARENICLINE
Common Name English
8-.BETA.-D-GLUCOPYRANOSYL-7,8,9,10-TETRAHYDRO-6,10-METHANO-6H-PYRAZINO(2,3-H)(3)BENZAZEPINE
Systematic Name English
6,10-METHANO-6H-PYRAZINO(2,3-H)(3)BENZAZEPINE, 8-.BETA.-D-GLUCOPYRANOSYL-7,8,9,10-TETRAHYDRO-
Systematic Name English
VARENICLINE METABOLITE M7
Common Name English
Code System Code Type Description
FDA UNII
TXW5M73PU6
Created by admin on Sat Dec 16 11:27:52 GMT 2023 , Edited by admin on Sat Dec 16 11:27:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID90676192
Created by admin on Sat Dec 16 11:27:52 GMT 2023 , Edited by admin on Sat Dec 16 11:27:52 GMT 2023
PRIMARY
PUBCHEM
102134437
Created by admin on Sat Dec 16 11:27:52 GMT 2023 , Edited by admin on Sat Dec 16 11:27:52 GMT 2023
PRIMARY
CAS
873302-31-9
Created by admin on Sat Dec 16 11:27:52 GMT 2023 , Edited by admin on Sat Dec 16 11:27:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE