Thiamine pyrophosphate
CAS Registry Number®
136-09-4
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CAS Name
Thiamine pyrophosphateMolecular Formula
C12H18N4O7P2SCite this Page
Thiamine pyrophosphate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=136-09-4 (retrieved ) (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
