Thiamine pyrophosphate

CAS Registry Number®

136-09-4

CAS Name

Thiamine pyrophosphate

Molecular Formula

C12H18N4O7P2S

Cite this Page

Thiamine pyrophosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12318-71-7 (retrieved 2024-11-24) (CAS RN: 136-09-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H18N4O7P2S/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)

InChIKey

InChIKey=AYEKOFBPNLCAJY-UHFFFAOYSA-N

SMILES

C([N+]=1C(C)=C(CCOP(OP(=O)(O)O)(=O)[O-])SC1)C=2C(N)=NC(C)=NC2

Canonical SMILES

O=P(O)(O)OP(=O)([O-])OCCC=1SC=[N+](C1C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Thiazolium, 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)-, inner salt
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, hydroxide, inner salt, P,P′-dioxide
  • Thiamine pyrophosphate
  • Thiamin pyrophosphate
  • Lipothiamine pyrophosphate

Deleted or Replaced CAS Registry Numbers

495-24-9, 12318-71-7, 934365-19-2

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