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Substance Name: Thiamine monophosphate bis(glucosamine)
RN: 20936-20-3
InChIKey: MPZCYTLJPBYUBV-XPUIWAAWSA-N

Molecular Weight

  • 739.133
 
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Names and Synonyms

Name of Substance

  • Thiamine monophosphate bis(glucosamine)

Synonyms

  • Thiamine chloride ester monophosphate of bis(glucosamine)
  • Thiazolium, 3-(4-amino-2-methyl-5-pyrimidinyl)methyl-4-methyl-5-(2-(phosphonooxy)ethyl)-, chloride, compd. with 2-amino-2-deoxy-D-glucose (1:2)

Systematic Name

  • D-Glucose, 2-amino-2-deoxy-, compd. with 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazolium chloride (2:1)

Registry Numbers

CAS Registry Number

  • 20936-20-3

System Generated Number

  • 0020936203

Structure Descriptors

InChI

1S/C12H17N4O4PS.2C6H13NO5.ClH/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;2*7-3(1-8)5(11)6(12)4(10)2-9;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);2*1,3-6,9-12H,2,7H2;1H/t;2*3-,4+,5+,6+;/m.00./s1

InChIKey

MPZCYTLJPBYUBV-XPUIWAAWSA-N

Smiles

s1c[n+](Cc2c(nc(nc2)C)N)c(c1CCOP(=O)(O)O)C.[ClH-].O=C[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N.O=C[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N