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1115-70-4

Basic Information
CAS No.: 1115-70-4
Name: 1,1-Dimethylbiguanide hydrochloride
Article Data: 16
Molecular Structure:
Molecular Structure of 1115-70-4 (1,1-Dimethylbiguanide hydrochloride)
Formula: C4H12ClN5
Molecular Weight: 165.626
Synonyms: Diaformin;Dialon;Diformin;Diformin Retard;Dimefor;Fornidd;Geamet;Glucomin;Glucomine;Gluconil;Glucophage;Glucophage 850;Glucophage Forte;Glucophage Retard;Glucophage SR;Glufor;Gluformin;Glumeformin;Glumetza;Glumin;Glupermin;Glyceriphage;Glyciphage;Glycon;Metomin;Miformin;N,N-Dimethylbiguanide hydrochloride;N,N-Dimethylbiguanidinium chloride;N1,N1-Dimethylbiguanide hydrochloride;Orabet;Siamformet;Walaphage;Biguanide, 1,1-dimethyl-, monohydrochloride(8CI);Imidodicarbonimidic diamide, N,N-dimethyl-, monohydrochloride (9CI);1,1-Dimethylbiguanide hydrochloride;
EINECS: 214-230-6
Density: 1.36[at 20℃]
Melting Point: 223-226 °C(lit.)
Boiling Point: 224.1 °C at 760 mmHg
Flash Point: 89.3 °C
Solubility: Soluble in water (50 mg/ml), ethanol, and DMSO (50 mM).
Appearance: crystalline solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/38
Safety: 26-36
PSA: 88.99000
LogP: 1.05850
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Specification

1. Introduction of Metformin hydrochloride
Metformin hydrochloride is one kind of crystalline solid or white powder. The IUPAC Name of this chemical is 3-(Diaminomethylidene)-1,1-dimethylguanidine hydrochloride. Besides, Metformin hydrochloride belongs to Intermediates & Fine Chemicals; Pharmaceuticals; API's; Miscellaneous Compounds. In addition, Metformin hydrochloride Classification Code is Antidiabetic; Drug / Therapeutic Agent; Skin / Eye Irritant. Metformin hydrochloride is freely soluble in water and is practically insoluble in acetone, ether and chloroform.

2. Properties of Metformin hydrochloride
Physical properties about Metformin hydrochloride are:
(1)Molecular Weight: 165.62; (2)H bond acceptors: 5; (3)H bond donors: 5; (4)Freely Rotating Bonds: 1; (5)Polar Surface Area: 34.44 Å2; (6)Merck: 13,5963; (7)Flash Point: 89.3 °C; (8)Enthalpy of Vaporization: 46.06 kJ/mol; (9)Boiling Point: 224.1 °C at 760 mmHg; (10)Vapour Pressure: 0.0929 mmHg at 25°C; (11)Melting point: 223-226 °C; (12)Appearance: Crystalline Solid; (13)Prisms from water, mp 232 deg C; (14)Crystals from propanol, mp 218-220 deg C; (15)H-Bond Donor: 4; (16)H-Bond Acceptor: 1.

3. Structure Descriptors of Metformin hydrochloride
(1)InChI: InChI=1/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H
(2)Smiles: C(NC(N)=N)(N(C)C)=N.Cl
(3)Canonical SMILES : CN(C)C(=N)N=C(N)N.Cl
(4)InChIKey: OETHQSJEHLVLGH-UHFFFAOYSA-N

4. Toxicity of Metformin hydrochloride

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intramuscular 200mg/kg (200mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.
guinea pig LD50 intraperitoneal 200mg/kg (200mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.
guinea pig LD50 oral 500mg/kg (500mg/kg)   Drugs in Japan Vol. -, Pg. 1193, 1990.
guinea pig LD50 subcutaneous 150mg/kg (150mg/kg)   Drugs in Japan Vol. -, Pg. 1193, 1990.
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Drugs in Japan Vol. 6, Pg. 841, 1982.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04012,
mouse LD50 oral 1450mg/kg (1450mg/kg)   Drugs in Japan Vol. 6, Pg. 841, 1982.
mouse LD50 subcutaneous 225mg/kg (225mg/kg)   Drugs in Japan Vol. -, Pg. 1193, 1990.
rabbit LD50 oral 350mg/kg (350mg/kg)   Drugs in Japan Vol. -, Pg. 1193, 1990.
rabbit LD50 subcutaneous 150mg/kg (150mg/kg)   Drugs in Japan Vol. -, Pg. 1193, 1990.
rat LD50 intraperitoneal 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2220256,
rat LD50 oral 1gm/kg (1000mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 934, 1989.
rat LD50 subcutaneous 300mg/kg (300mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 934, 1989.

5. Safety information of Metformin hydrochloride
Hazard Codes: HarmfulXn
Risk Statements: 22-36/38
R22:Harmful if swallowed. 
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: DU1800000

6. Uses of Metformin hydrochloride
Metformin hydrochloride is an oral hypoglycemic agent. It can lower plasma glucose levels and improves insulin sensitivity. Metformin hydrochloride Inhibits hepatic gluconeogenesis via activation of the LKB1/AMPK pathway. Displays antiproliferative effects in cancer cell lines.

7. Production of Metformin hydrochloride
Metformin hydrochloride (CAS NO.1115-70-4) is derived by Dimethylamine salt reacting with Dicyandiamide.