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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24N4O7S
Molecular Weight 476.503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACEFURTIAMINE

SMILES

CC(=O)OCC(=O)OCCC(SC(=O)C1=CC=CO1)=C(C)N(CC2=CN=C(C)N=C2N)C=O

InChI

InChIKey=MYBUGVXNAHWTOL-QGOAFFKASA-N
InChI=1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)/b18-13+

HIDE SMILES / InChI

Molecular Formula C21H24N4O7S
Molecular Weight 476.503
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

Acefurtiamine is a vitamin B1 analog. It is as an analgesic.

Approval Year

Substance Class Chemical
Record UNII
6APJ3D1308
Record Status Validated (UNII)
Record Version