Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06PQT
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| Former ID |
DAP000870
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| Drug Name |
Vitamin B1
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| Synonyms |
59-43-8; Thiamine monochloride; Aneurine; 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride; Tiamina; Oryzanin; Thiaminum; Oryzanine; Bethiamin; Vitaneurin; Beivon; Apatate drape; Thiamine, chloride; B-Amin; Thiamine [INN:BAN]; Tiamina [INN-Spanish]; Thiaminum [INN-Latin]; UNII-X66NSO3N35; CCRIS 5823; HSDB 220; thiamine(1+) chloride; EINECS 200-425-3; X66NSO3N35; CHEBI:33283; AK109288; Thiamine (Vit B1); Thiazolium,
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| Drug Type |
Small molecular drug
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| Indication | Vitamin B1 deficiency [ICD-11: 5B5A] | Approved | [1], [2], [3] | |
| Therapeutic Class |
Vitamins
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| Structure |
 |
Download2D MOL |
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| Formula |
C12H17ClN4OS
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| Canonical SMILES |
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-]
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| InChI |
1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
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| InChIKey |
MYVIATVLJGTBFV-UHFFFAOYSA-M
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| CAS Number |
CAS 59-43-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3215, 3668, 583797, 822673, 886455, 5234131, 5645942, 5645944, 7891055, 8144761, 8150989, 10584660, 10589132, 11466659, 11467779, 11486577, 11500395, 11528402, 24439480, 24775656, 46393131, 46507321, 47885578, 47885579, 47959945, 48259432, 48334684, 49698595, 53789248, 53837819, 56269944, 57320758, 78899065, 85165079, 90944897, 99381225, 103574063, 103852398, 104296849, 105215856, 117519632, 118275966, 124361027, 124596740, 124899362, 125264149, 126407001, 126523101, 126677770, 126677917
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| ChEBI ID |
CHEBI:33283
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| ADReCS Drug ID | BADD_D02197 | |||
| SuperDrug ATC ID |
A11DA01
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| SuperDrug CAS ID |
cas=000059438
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Pyruvate decarboxylase (Bact aceE) | Target Info | Cofactor | [4] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4629). | |||
| REF 2 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
| REF 3 | FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 040079. | |||
| REF 4 | Vitamins and cofactors: highlights of ESBOC 2009. Nat Chem Biol. 2009 Aug;5(8):530-3. | |||
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