| Stereochemistry | ACHIRAL |
| Molecular Formula | C38H42N8O6S2 |
| Molecular Weight | 770.92 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(\CCOC(=O)C2=CC=CC=C2)SS\C(CCOC(=O)C3=CC=CC=C3)=C(/C)N(CC4=C(N)N=C(C)N=C4)C=O
InChI
InChIKey=IWXAZSAGYJHXPX-BCEWYCLDSA-N
InChI=1S/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)/b33-25+,34-26+
| Molecular Formula | C38H42N8O6S2 |
| Molecular Weight | 770.92 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
Bisbentiamine is an O-benzoyl thiamine disulfide or vitamin B1 disulfide derivative. Thiamine derivatives and thiamine-dependent enzymes are present in all cells of the body, thus a thiamine deficiency would seem to adversely affect all of the organ systems. Lipid-soluble thiamine precursors such as Bisbentiamine have a much higher bioavailability than genuine thiamine and therefore are more suitable for therapeutic purposes. It is also used as a dietary supplement.
