Sulbutiamine
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Sulbutiamine
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CAS No:
3286-46-2
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Formula:
C32H46N8O6S2
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Chemical Name:
Sulbutiamine
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Synonyms:
Propanoic acid,2-methyl-,1,1′-[dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl]] ester;Isobutyric acid,diester with N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide];Propanoic acid,2-methyl-,dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester;Formamide,N,N′-[dithiobis[2-(2-hydroxyethyl)-1-methylvinylene]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-,diisobutyrate (ester);O-Isobutyroylthiamine disulfide;O-Isobutyrylthiamine disulfide;Vitaberin;Sulbutiamine;Bisibutiamine;Arcalion Forte;Bisibuthiamine
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CAS No:
Description
Sulbutiamine is a highly lipid soluble synthetic analogue of vitamin B1, used for the treatment of asthenia.
Sulbutiamine Basic Attributes
702.89
702.89
221-937-3
DTXSID5046641
A - Alimentary tract and metabolism
Characteristics
247 Ų
7.12200
White to off-white crystalline powder
1.3±0.1 g/cm3
140.5-141.5 °C
892.5°C at 760 mmHg
392.9±32.9 °C
1.702
Peritoneal-rat LD50: 660 mg/kg; venous-rat LD50: 110 mg/kg
Flammable; heated to decompose toxic nitrogen oxides, sulfur oxides fumes
Safety Information
LQ2721000
Warehouse ventilated, low temperature and dry
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Sulbutiamine Use and Manufacturing
Sulbutiamine (isobutyryl thiamine disulfide) is a lipophilic derivative of thiamine used for the treatment of asthenia and other related pathological conditions. Sulbutiamine is available over-the-counter in several countries as a component of nutritional supplements.
Computed Properties
Molecular Weight:702.9
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:19
Exact Mass:702.29817356
Monoisotopic Mass:702.29817356
Topological Polar Surface Area:247
Heavy Atom Count:48
Complexity:1050
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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