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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=C3C=C5N=CC=NC5=C4

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
TXW5M73PU6
Record Status Validated (UNII)
Record Version