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Thiamine(1+) Diphosphate#

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Thiamine(1+) Diphosphate# / CAS : 154-87-0

Appearance White to almost white solid UN 1759
HS 29420000 DG Class 8
Synonyms Thiamine Pyrophosphate; Aneurinepyrophosphoric Acid Cocarboxylase Thiamine Pyrophosphate Chloride; Vitamin B1 Pyrophosphoric Acid Ester Chloride; Cocarboxylase; Thiamine Pyrophosphate Chloride
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Properties

Summary

Formula
C12H19ClN4O7P2S
Molecular Mass
460.76700
Exact Mass
460.01400
PSA
216.83000
Logp
-1.57310
IUPAC
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride
SMILES
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Vitamins And Minerals Medicines

Chemical and Physical Properties

Melting Point
240-244 °C (decomp)
Appearance
White to almost white solid

Export information

HS Code
29420000
Export Rebate
13%
UN No.
1759
DG-Class
8

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