BFT

S-BENZOYLTHIAMINE O-MONOPHOSPHATE


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Chemical Component Summary

NameS-BENZOYLTHIAMINE O-MONOPHOSPHATE
SynonymsBENFOTIAMINE
IdentifiersS-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-1-phosphonooxy-pentan-3-yl] benzenecarbothioate
FormulaC19 H25 N4 O6 P S
Molecular Weight468.464
TypeNON-POLYMER
Isomeric SMILESCc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2
InChIInChI=1S/C19H25N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12-13,17H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/t13-,17+/m0/s1
InChIKeyZVFWYYRSRJTRQB-SUMWQHHRSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count2
Bond Count57
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 49866698