CAS 67-03-8|Thiamine hydrochloride

Introduction：Basic information about CAS 67-03-8|Thiamine hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Thiamine hydrochloride BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles24
8. Synonyms

Common Name	Thiamine hydrochloride
CAS Number	67-03-8	Molecular Weight	337.268
Density	1.401 g/cm3	Boiling Point	/
Molecular Formula	C₁₂H₁₈Cl₂N₄OS	Melting Point	246-254ºC
MSDS	ChineseUSA	Flash Point	100ºC
Symbol	GHS02, GHS06, GHS08	Signal Word	Danger

Names

Name	thiamine(2+) dichloride
Synonym	More Synonyms

Thiamine hydrochloride BiologicalActivity

Description	Thiamine hydrochloride is an essential micronutrient needed as a cofactor for many central metabolic enzymes.
Related Catalog	Signaling Pathways >>Others >>OthersNatural Products >>OthersResearch Areas >>Neurological Disease
References	[1]. Moulin M, et al. Analysis of Chlamydomonas thiamin metabolism in vivo reveals riboswitch plasticity. Proc Natl Acad Sci U S A. 2013 Sep 3;110(36):14622-7.

Chemical & Physical Properties

Density	1.401 g/cm3
Melting Point	246-254ºC
Molecular Formula	C₁₂H₁₈Cl₂N₄OS
Molecular Weight	337.268
Flash Point	100ºC
Exact Mass	336.057831
PSA	104.15000
InChIKey	DPJRMOMPQZCRJU-UHFFFAOYSA-M
SMILES	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]
Storage condition	2-8°C
Stability	Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
Water Solubility	H2O: 0.1 g/mL at 20 °C, clear, colorless \| 1 g/mL

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XI7350000

CHEMICAL NAME :: Thiamine, chloride, hydrochloride

CAS REGISTRY NUMBER :: 67-03-8

LAST UPDATED :: 199701

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C12-H17-N4-O-S.Cl-H.Cl

MOLECULAR WEIGHT :: 337.30

WISWESSER LINE NOTATION :: T6N CNJ B1 DZ E1- AT5K CSJ D2Q E1 &Q &G &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 5 mg/kg

TOXIC EFFECTS :: Behavioral - coma Vascular - BP lowering not characterized in autonomic section Immunological Including Allergic - anaphylaxis

REFERENCE :: AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 13,371,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3710 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - tremor Lungs, Thorax, or Respiration - other changes

REFERENCE :: AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 4,125,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 481 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,712,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 560 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 118 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 236,149,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 8224 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IZVIAK Internationale Zeitschrift fuer Vitaminforschung. International Review of Vitamin Research. (Bern, Switzerland) V.19-40, 1947-70. For publisher information, see IJVNAP. Volume(issue)/page/year: 37,82,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 74 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,712,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 117 mg/kg

TOXIC EFFECTS :: Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 68,153,1948

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 872 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 140 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 2600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 9,1,1959 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8540 mg/kg/28D-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,712,1969

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 11200 mg/kg/28D-I

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,623,1956 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 72200 No. of Facilities: 1288 (estimated) No. of Industries: 6 No. of Occupations: 14 No. of Employees: 18364 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 72200 No. of Facilities: 1872 (estimated) No. of Industries: 10 No. of Occupations: 28 No. of Employees: 48078 (estimated) No. of Female Employees: 31774 (estimated)

Safety Information

Symbol	GHS02, GHS06, GHS08
Signal Word	Danger
Hazard Statements	H225-H301 + H311 + H331-H370
Precautionary Statements	P210-P260-P280-P301 + P310-P311
Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S26-S37/39
RIDADR	UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany	1
RTECS	XI7350000
HS Code	2934100090

Customs

HS Code	2934100090
Summary	2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

Articles24

Protein enrichment of an Opuntia ficus-indica cladode hydrolysate by cultivation of Candida utilis and Kluyveromyces marxianus.

J. Sci. Food Agric. 95(5) , 1094-102, (2015)

The cladodes of Opuntia ficus-indica (prickly pear cactus) have a low protein content; for use as a balanced feed, supplementation with other protein sources is therefore desirable. We investigated pr...

Effects of N source concentration and NH4(+)/NO3(-) ratio on phenylethanoid glycoside pattern in tissue cultures of Plantago lanceolata L.: a metabolomics driven full-factorial experiment with LC-ESI-MS(3.).

Phytochemistry 106 , 44-54, (2014)

Tissue cultures of a medicinal plant, Plantago lanceolata L. were screened for phenylethanoid glycosides (PGs) and other natural products (NPs) with LC-ESI-MS(3). The effects of N source concentration...

Capillary electromigration techniques as tools for assessing the status of vitamins A, C and E in patients with cystic fibrosis.

J. Pharm. Biomed. Anal. 102 , 45-53, (2014)

The purpose of this work is the evaluation of the nutritional status of patients with cystic fibrosis (CF), based on the level of vitamin C in urine and vitamins A and E in serum, using the fast, sele...

Synonyms

Thiamine Hydrochloride

Aneurine hydrochloride

Vitamin B1 hydrochloride

EINECS 200-641-8

MFCD00012780

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride (1:1), hydrochloride (1:1)

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