Cocarboxylase chloride hydrochloride
Basic information
- CAS
23883-45-6- Standard SMILES
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.Cl.[Cl-]- InChIKey
QTOYIDGNARHVRO-UHFFFAOYSA-N- Molecular formula
- C12H20Cl2N4O7P2S
- Average molar mass
- 497.2 g/mol
- Monoisotopic mass
- 495.9904995
Names & identifiers
- Preferred name
- Cocarboxylase chloride hydrochloride
- IUPAC
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride;hydrochloride
Names & synonyms
Cocarboxylase hydrochloride23883-45-6Cocarboxylase dihydrochlorideCocarboxylase chloride hydrochlorideU9TBV3W359DTXSID4058736RefChem:1082097DTXCID2032427Cocarboxylase monohydrochlorideThiamine diphosphate HClThiamine diphosphate hydrochlorideBivitasi (TN)
Show more names
Thiamine, diphosphoric hydrochloride esterThiamine, trihydrogen pyrophosphate (ester), monohydrochloride3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride hydrochlorideThiamine trihydrogen pyrophosphate monohydrochlorideUNII-U9TBV3W3593-((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 chloride, monohydrochlorideSCHEMBL662896FC165728
Database identifiers
- CAS
23883-45-6- PubChem CID
- 198017
- DTXSID
DTXSID4058736- UNII
- U9TBV3W359
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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