Details of the Drug

General Information of Drug (ID: DMJHC2Y)

Drug Name

Benfotiamine

Synonyms

benfotiamine; 22457-89-2; Benphothiamine; Betivina; Benzoylthiamine monophosphate; S-Benzoylthiamine O-monophosphate; S-Benzoylthiamine monophosphate; Benfotiamina; Benfotiaminum; 22457-89-2 (free acid); S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate; DTXCID1025433; S-Benzoylthiamine-O-monophosphate; Benfotamine; (Z)-S-(2-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-(phosphonooxy)pent-2-en-3-yl) benzothioate; s-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate; SR-01000872627; N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate; DTXSID3045433; CHEBI:41039; MFCD00057343; Prestwick_68; NCGC00016764-01; Biotamin (TN); S-(2-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-(phosphonooxy)pent-2-en-3-yl)benzothioa; CAS-22457-89-2; Prestwick2_000654; Prestwick3_000654; Benfotiamine (JAN/INN); BSPBio_000687; SCHEMBL188070; BPBio1_000757; CHEMBL4303665; SCHEMBL19184708; HMS1570C09; HMS2097C09; HMS3714C09; Tox21_110597; AKOS015920320; Tox21_110597_1; AC-8280; CCG-220654; DB11748; NCGC00016764-04; NCGC00179477-01; (3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]carbonylamino}-3-(phenylcarb onylthio)pent-3-enyl dihydrogen phosphate; D01255; EN300-21694383; SR-01000872627-1; SR-01000872627-2; {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid; 775256-41-2; s-{(1z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-1-[2-(phosphonooxy)ethyl]-1-propenyl} benzenecarbothioate; S-{(1Z)-2-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-1-[2-(phosphonooxy)ethyl]-1-propenyl} benzenecarbothioate, AldrichCPR

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 2	[1]
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Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C19H23N4O6PS
Canonical SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C
InChI: InChI=1S/C19H23N4O6PS/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/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
InChIKey: BTNNPSLJPBRMLZ-LGMDPLHJSA-N

Cross-matching ID

PubChem CID: 3032771
TTD ID: DL7CK2

References

1	ClinicalTrials.gov (NCT02292238) Benfotiamine in Alzheimer's Disease: A Pilot Study. U.S.National Institutes of Health.