
API0232064
Thiamylal Sodium
Thiamine and Thiamine Hydrochloride are Vitamin B1 supplements.
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CAS No.
337-47-3
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Synonyms
Thiamylal sodium; Sodium thiamylal; UNII-T4L2P3KH7K
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CHEMBL ID
CHEMBL1201065
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Indications
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Molecule Type
Small molecule
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Compound CID
23677058
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Molecular Weight (g/mol)
276.33
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Molecular Formula
C12H17N2NaO2S
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InChI
InChI=1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
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InChIKey
LYZGJWXNOGIVQA-UHFFFAOYSA-M
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SMILES
CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]
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IUPAC Name
sodium;4,6-dioxo-5-pentan-2-yl-5-prop-2-enyl-1H-pyrimidine-2-thiolate
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Exact Mass (Da)
276.09084324
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Monoisotopic Mass (Da)
276.09084324
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