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Details

Stereochemistry RACEMIC
Molecular Formula C13H13N3O
Molecular Weight 227.2618
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXY VARENICLINE

SMILES

O=C1NC2=C(C=C3[C@@H]4C[C@@H](CNC4)C3=C2)N=C1

InChI

InChIKey=GKJIHIDMYKLTHW-SFYZADRCSA-N
InChI=1S/C13H13N3O/c17-13-6-15-11-2-9-7-1-8(5-14-4-7)10(9)3-12(11)16-13/h2-3,6-8,14H,1,4-5H2,(H,16,17)/t7-,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H13N3O
Molecular Weight 227.2618
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:08:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:08:08 GMT 2023
Record UNII
DKH82FXZ87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXY VARENICLINE
Common Name English
6,10-METHANO-2H-PYRAZINO(2,3-H)(3)BENZAZEPIN-2-ONE, 1,6,7,8,9,10-HEXAHYDRO-
Systematic Name English
1,6,7,8,9,10-HEXAHYDRO-6,10-METHANO-2H-PYRAZINO(2,3-H)(3)BENZAZEPIN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
29982201
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
FDA UNII
DKH82FXZ87
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID10432212
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
CAS
357424-21-6
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE