loading...| Preferred Name |
thiamine hydrochloride |
|
| Synonyms |
3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride thiamin hydrochloride vitamin B1 hydrochloride thiamine chloride hydrochloride thiamine(2+) dichloride thiamin dichloride thiaminium chloride hydrochloride thiamine HCl thiamine dichloride |
|
| Definitions |
A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_49105 |
|
| charge |
0 |
|
| database_cross_reference |
Gmelin:691133 Beilstein:3642937 PMID:25977858 PMID:32562525 PMID:30131156 PMID:11548854 PMID:28784494 Beilstein:3851771 PMID:21212548 Reaxys:17124533 KEGG:D02094 PMID:32824791 CAS:67-03-8 PMID:24399744 PMID:22305197 FooDB:FDB008416 PMID:12224421 AGR:IND606057536 DrugBank:DBSALT000205 PMID:26616989 Chemspider:5967 AGR:IND605711145 PMID:28763984 Gmelin:31154 PMID:32009117 PMID:31664290 PMID:27163892 PMID:31270735 |
|
| definition |
A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. |
|
| formula |
C12H18Cl2N4OS C12H17N4OS.HCl.Cl |
|
| has part | ||
| has_exact_synonym |
3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
thiamin hydrochloride vitamin B1 hydrochloride thiamine chloride hydrochloride thiamine(2+) dichloride thiamin dichloride thiaminium chloride hydrochloride thiamine HCl thiamine dichloride |
|
| id |
CHEBI:49105 |
|
| in_subset | ||
| inchi |
InChI=1S/C12H17N4OS.2ClH/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);2*1H/q+1;;/p-1 |
|
| inchikey |
DPJRMOMPQZCRJU-UHFFFAOYSA-M |
|
| label |
thiamine hydrochloride |
|
| mass |
337.270 |
|
| monoisotopicmass |
336.05784 |
|
| notation |
CHEBI:49105 |
|
| prefLabel |
thiamine hydrochloride |
|
| RO_0000087 | ||
| smiles |
C([N+]=1C(=C(SC1)CCO)C)C=2C(=NC(C)=NC2)N.[Cl-].Cl |
|
| subClassOf |