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Substance Name: Cocarboxylase [INN:DCF:JAN]
RN: 154-87-0
UNII: XMK8K8EVIU
InChIKey: YXVCLPJQTZXJLH-UHFFFAOYSA-N

Note

  • The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.

Molecular Formula

  • C12-H19-N4-O7-P2-S.Cl

Molecular Weight

  • 460.77
 

Classification Codes

  • Drug / Therapeutic Agent
  • Growth Substances
  • Micronutrients
  • Vitamin B Complex
  • Vitamins
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Names and Synonyms

Name of Substance

  • Co-carboxylase [BAN]
  • Cocarboxylase [INN:DCF:JAN]
  • Thiamine pyrophosphate

MeSH Heading

  • Thiamine pyrophosphate

Synonyms

  • AI3-63012
  • B-Carbossilasi
  • B-Neurox
  • Berolase
  • Biosyth
  • Bioxilasi
  • Bioxylasi
  • Bivitasi
  • Co-Bi
  • Co-carboxylase
  • Cocarbina
  • Cocarboxil
  • Cocarboxilasa
  • Cocarboxilasa [INN-Spanish]
  • Cocarboxylase
  • Cocarboxylasum
  • Cocarboxylasum [INN-Latin]
  • Cocarvit
  • Coenbione
  • Coenzyme-B
  • Coneurina
  • Cothiamine
  • Coxylase
  • Diphosphothiamin
  • Diphosphothiamine
  • EINECS 205-836-1
  • Farmaneurina
  • Magnesiocarbina
  • Metabolase
  • Nutrase
  • Pyrolase
  • Pyruvodehydrase
  • Stadion
  • TDP (thiamin ester)
  • Thiamine pyrophosphoric ester
  • Thiamine-PP
  • Thiaminediphosphate
  • Thiaminepyrophosphate
  • Thiaminpyrophosphate
  • Tiaxin
  • TPP (coenzyme)
  • UNII-XMK8K8EVIU
  • Vitamin B1 pyrophosphate chloride

Systematic Names

  • Cocarboxylase
  • Pyrophosphoric ester of thiamine
  • Thiamine, trihydrogen pyrophosphate (ester)
  • 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
  • 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)

Registry Numbers

CAS Registry Number

  • 154-87-0

FDA UNII

  • XMK8K8EVIU

Other Registry Numbers

  • 55056-45-6
  • 74992-00-0
  • 902463-63-2

System Generated Number

  • 0000154870

Structure Descriptors

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

YXVCLPJQTZXJLH-UHFFFAOYSA-N

Smiles

[n+]1(c(c(CCO[P@@](OP(O)(O)=O)(O)=O)sc1)C)Cc1c(nc(C)nc1)N.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular > 1gm/kg (1000mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 1025, 1985.
mouse LD50 intravenous 360mg/kg (360mg/kg)   Drugs in Japan Vol. -, Pg. 471, 1995.
mouse LD50 subcutaneous 2500mg/kg (2500mg/kg)   Drugs in Japan Vol. -, Pg. 471, 1995.
rat LD50 intramuscular > 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE

BEHAVIORAL: ANTIPSYCHOTIC
Kiso to Rinsho. Clinical Report. Vol. 19, Pg. 1025, 1985.
rat LD50 intravenous 465mg/kg (465mg/kg)   Drugs in Japan Vol. -, Pg. 471, 1995.
rat LD50 subcutaneous 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 471, 1995.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.100 (none)   EST
Atmospheric OH Rate Constant 2.96E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.