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Substance Name: Benfotiamine [INN:DCF:JAN]
RN: 22457-89-2
UNII: Y92OUS2H9B
InChIKey: BTNNPSLJPBRMLZ-UHFFFAOYSA-N
Classification Codes
- Adjuvants, Immunologic
- Chelating Agents
- Drug / Therapeutic Agent
- Immunologic Factors
- Sequestering Agents
Molecular Formula
- C19-H23-N4-O6-P-S
Molecular Weight
- 466.4527
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Benfotiamine [INN:DCF:JAN]
- Benphothiamine
Synonyms
- 8088 C.B.
- Benfotiamina
- Benfotiamina [INN-Spanish]
- Benfotiamine
- Benfotiaminum
- Benfotiaminum [INN-Latin]
- Benzoylthiamine monophosphate
- Benzoylthiamine O-monophosphate
- Berdi
- Betivina
- Biotamin
- BRN 0771326
- BTMP
- CB 8088
- EINECS 245-013-4
- Foti
- N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate
- Neurostop
- Nitanevril
- NSC 758241
- S-Benzoylthiamine monophosphate
- S-Benzoylthiamine O-monophosphate
- S-benzoylthiamine-O-monophosphate
- Tabiomyl
- Thiamine monophosphate benzoyl
- UNII-Y92OUS2H9B
- Vitanevril
Systematic Names
- Benfotiamine
- Benzoic acid, thio-, S-ester with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide dihydrogen phosphate (ester)
- N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate
- S-Benzoylthiamine O-monophosphate
Registry Numbers
CAS Registry Number
- 22457-89-2
FDA UNII
- Y92OUS2H9B
Other Registry Number
- 137-74-6
System Generated Number
- 0022457892
Structure Descriptors
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)InChIKey
BTNNPSLJPBRMLZ-UHFFFAOYSA-NSmiles
CC(=C(CCOP(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 2200mg/kg (2200mg/kg) | "Modern Pharmaceuticals of Japan, III," Tokyo, Japan Pharmaceutical, Medical and Dental Suppl Exporters' Assoc., 1968Vol. -, Pg. 78, 1968. | |
mouse | LD50 | oral | 15gm/kg (15000mg/kg) | Drugs in Japan Vol. 6, Pg. 781, 1982. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 1.100 | (none) | EST | |
Atmospheric OH Rate Constant | 1.19E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.