CAS Registry Number®
154-87-0
CAS Name
Thiamine pyrophosphate
Molecular Formula
C12H19N4O7P2S.Cl
Compound Properties
-
Melting Point (1)
238-240 °C (decomp)
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C12H18N4O7P2S.ClH/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);1H
InChIKey
InChIKey=YXVCLPJQTZXJLH-UHFFFAOYSA-N
SMILES
C([N+]=1C(C)=C(CCOP(OP(=O)(O)O)(=O)O)SC1)C=2C(N)=NC(C)=NC2.[Cl-]
Canonical SMILES
[Cl-].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)-, chloride (1:1)
- Thiamine, trihydrogen pyrophosphate (ester)
- Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P′-dioxide
- 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)-, chloride
- Berolase
- Biosyth
- Bioxilasi
- Bivitasi
- Cocarbina
- Cocarboxylase
- TDP
- Thiamine diphosphate
- Thiamine diphosphate ester chloride
- Thiamine diphosphoric acid ester chloride
- Thiamine pyrophosphate
- Thiamine pyrophosphate chloride
- Thiamine pyrophosphoric acid ester chloride
- Thiamine pyrophosphoric ester
- Diphosphothiamine
- Thiamine pyrophosphate hydrochloride
- Thiamine-PP
- Pyruvodehydrase
- Farmaneurina
- B-Neurox
- Cocarboxil
- Co-B1
- Pyrolase
- Coenbione
- Thiamin pyrophosphate
- Diphosphothiamin
- TDP (thiamin ester)
- Metabolase
- Nutrase
- Coxylase
- TPP
- TPP (coenzyme)
- Vitamin B1 pyrophosphate chloride
Deleted or Replaced CAS Registry Numbers
55056-45-6, 74992-00-0, 902463-63-2
