Thiamine-d3 Pyrophosphate Chloride (d3-Major)

ISO 17034:
Catalog Number : CS-T-93735
CAS Number : 154-87-0 (Unlabeled)
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Product Information

Product Name : Thiamine-d3 Pyrophosphate Chloride (d3-Major)
Category : Stable Isotopes
Synonyms : 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium-d3 Chloride
Molecular Weight : 463.79 mol/g
Molecular Formula : C12H16D3ClN4O7P2S

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Canonical SMILES : CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]
Isomeric SMILES : CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]
InChI : InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H
InchIKey : YXVCLPJQTZXJLH-UHFFFAOYSA-N
IUPAC Name : 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride
Exact Mass : 460.0138218
Chemical Classes : Biological Agents -> Vitamins and Derivatives
Hazard Class : Skin Sens. 1 (100%)
Description : Thiamine(1+) diphosphate chloride is an organic chloride salt of thiamine(1+) diphosphate. It is an organic chloride salt and a vitamin B1. It contains a thiamine(1+) diphosphate.
EC Number : 205-836-1