CAS 154-87-0|Cocarboxylase

Introduction:Basic information about CAS 154-87-0|Cocarboxylase, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameCocarboxylase
CAS Number154-87-0Molecular Weight460.767
Density/Boiling Point/
Molecular FormulaC12H19ClN4O7P2SMelting Point/
MSDSUSAFlash Point/

Names

Namethiamine(1+) diphosphate
SynonymMore Synonyms

Cocarboxylase BiologicalActivity

DescriptionThiamine pyrophosphate is the coenzyme form of Vitamin B1 and is a required intermediate in the pyruvate dehydrogenase complex and the ketoglutarate dehydrogenase complex.
Related CatalogNatural Products >>OthersResearch Areas >>Metabolic Disease
Target

Human Endogenous Metabolite

Chemical & Physical Properties

Molecular FormulaC12H19ClN4O7P2S
Molecular Weight460.767
Exact Mass460.013824
PSA216.83000
InChIKeyYXVCLPJQTZXJLH-UHFFFAOYSA-N
SMILESCc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]
Storage condition2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI7552000
CHEMICAL NAME :
Thiamine, trihydrogen pyrophosphate (ester)
CAS REGISTRY NUMBER :
154-87-0
LAST UPDATED :
199806
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H19-N4-O7-P2-S.Cl
MOLECULAR WEIGHT :
460.80
WISWESSER LINE NOTATION :
T6N CNJ B1 DZ E1- AT5K CSJ D2OPQO&OPQQO E1 &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,471,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
465 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,471,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - sensory change involving peripheral nerve Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,1025,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,471,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,471,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - sensory change involving peripheral nerve Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,1025,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3828 No. of Facilities: 172 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 850 (estimated) No. of Female Employees: 766 (estimated)

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Risk PhrasesR22
Safety PhrasesS22-S24/25
RIDADR1759
WGK Germany3
RTECSXI7552000
Packaging GroupIII
Hazard Class8

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Synonyms

3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride
TDP
Vitamin B1 Pyrophosphoric Acid Ester Chloride
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methylthiazolium Chloride
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride
Cocarboxylase
MFCD00038740
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium Chloride P,P'-Dioxide
cocarboxylasum [INN_la]
Vitamin B1 Pyrophosphate Chloride
Thiamine pyrophosphate
Aneurinepyrophosphoric acid Cocarboxylase Thiamine pyrophosphate chloride
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)thiazolium Chloride
Co-B1
tpp
EINECS 205-230-7
Bioxilasi
thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methyl-, chloride (1:1)
TPP (VAN)
Thiamine Pyrophosphoric Acid Ester Chloride
Thiamine Pyrophosphate Chloride
thiamine(1+) diphosphate chloride
Thiamine Diphosphate Ester Chloride
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