CAS 154-87-0 MFCD00038740-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) 焦磷酸硫胺素 -LabNovo

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) 焦磷酸硫胺素

CAS 154-87-0 MFCD00038740

化学结构图

SMILES: Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]

化学属性

Mol. Formula	C12H19N4O7P2S
Mol. Weight	461
TSCA	Yes
Density	1.422
Appearance	白色结晶性粉末。干燥品稳定，水溶液不稳定。Mp238-240℃，在242nm波长处有最大吸收。本品易溶于水，水溶液pH值显酸性；难溶于乙醇、丙酮和乙醚。
Melting Point	240-244
Stability	对光和热敏感

别名和识别编码

Chemical Name	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)
MDL Number	MFCD00038740
CAS Number	154-87-0
Synonym	ANEURINEPYROPHOSPHORIC ACID Aneurinepyrophosphoric acid Aneurinepyrophosphoric acid Cocarboxylase B-Neurox Berolase Bioxylasi Cocarboxylase Coxylase Diphosphothiamin Farmaneurina Metabolase Pyrophosphate, Thiamine THIAMINE PYROPHOSPHATE THIAMINEPYROPHOSPHORIC ACID TPP (coenzy Thiamine Diphosphate Thiamine Pyrophosphate Thiamine diphosphate chloride; Vitamin B1; [2-[3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-hydroxy-phosphoryl]oxyphosphonic acid chloride Thiamine pyrophosphate Thiamine pyrophosphate chloride Thiamine pyrophosphoric ester Thiaminepyrophosphate berolase co-bi 二磷酸硫胺噻胺二磷酸酯氯化脱羧辅酶
PubChem Substance ID	9068
Beilstein Registry Number	3875902
EC Number	205-836-1
Merck Number	14,9296
Reaxys-RN	3875902
Chemical Name Translation	焦磷酸硫胺素
Wiswesser Line Notation	T6N CNJ B1 DZ E1- AT5K CSJ D2OPQO&OPQQO E1 &G
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
LabNetwork Molecule ID	LN01310097

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产品应用

decarboxylation mechanisms in biological systems,and to investigate radical reactions of thiamin pyrophosphate in 2-oxoacid oxidoreductases.

安全信息

WGK Germany3

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

RTECSXI7552000

Storage condition 0-10 储存温度-20°C 储存温度： -20°C 0-10°C 2-8°C

Signal word Warning

GHS Symbol

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338

Packing GroupIII

Hazard Class8

UN Number 1759

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 - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - sensory change involving peripheral nerve
   Behavioral - somnolence (general

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

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 ot

其他信息

MOL 文件:154-87-0.mol
图谱信息:焦磷酸硫胺素(154-87-0)红外图谱(IR1) 焦磷酸硫胺素(154-87-0)核磁图( 1 HNMR) 焦磷酸硫胺素(154-87-0)核磁图( 13 CNMR) 焦磷酸硫胺素(154-87-0)质谱(MS) 焦磷酸硫胺素(154-87-0)红外图谱(IR2)
方法一:盐酸硫胺与磷酸反应，再经盐酸处理制得。
Sigma Aldrich:154-87-0(sigmaaldrich)
参考质量标准:含量≥90%，水分≤7.8%，纸色谱合格。
用途一:生化研究；临床用于治疗心率失常、心肌梗塞、昏迷等症。
焦磷酸硫胺素价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 SC875403 羧化辅酶 ≥97％（-20℃） 25g 2314元 2011/04/16 T0183 焦磷酸硫胺素 Thiamine Pyrophosphate Chloride 5G 572元 2011/04/16 T0183 焦磷酸硫胺素 Thiamine Pyrophosphate Chloride 25G 1780元
F:3-8-10
TCI Shanghai:焦磷酸硫胺素 Thiamine Pyrophosphate Chloride,>;98.0%(T)(154-87-0)
食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称允许使用该种添加剂的食品中文名称添加剂功能最大允许使用量（g/kg）最大允许残留量（g/kg）维生素B1 西式糕点营养强化剂 0.3-0.6mg/100g 维生素B1 运动营养食品营养强化剂 0.2－20mg 维生素B1 较大婴儿和幼儿配方食品营养强化剂 0.4-1.9 mg/100g 维生素B1 饼干营养强化剂 0.3~0.6mg/100g

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) 焦磷酸硫胺素

CAS 154-87-0 MFCD00038740

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化学属性

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化学结构图

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相关文献及参考

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相关产品推荐

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