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Substance Name: Cetotiamine hydrochloride monohydrate
RN: 16145-28-1
UNII: 7C3PG6KUT4
InChIKey: NRLOCOXPOJIONU-ZABRKXACSA-N

Molecular Weight

  • 480.9671
 
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Names and Synonyms

Name of Substance

  • Cetotiamine hydrochloride monohydrate

Synonyms

  • (3Z)-4-(N-((4-Amino-2-methylpyrimidin-5-yl)methyl)-N-formylamino(-3-(ethoxycarbonylsulfanyl)pent-3-enyl ethyl carbonate monohydrochloride monohydrate
  • Cetotiamine hydrochloride hydrate
  • Cetotiamine hydrochloride hydrate [JAN]
  • Cetotiamine hydrochloride monohydrate
  • O,S-Bis(ethoxycarbonyl)thiamine, hydrochloride hydrate
  • UNII-7C3PG6KUT4

Registry Numbers

CAS Registry Number

  • 16145-28-1

FDA UNII

  • 7C3PG6KUT4

System Generated Number

  • 0016145281

Structure Descriptors

InChI

1S/C18H26N4O6S.ClH.H2O/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19;;/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21);1H;1H2/b15-12-;;

InChIKey

NRLOCOXPOJIONU-ZABRKXACSA-N

Smiles

CCOC(=O)OCC/C(=C(\C)/N(Cc1cnc(nc1N)C)C=O)/SC(=O)OCC.O.Cl