Molecular Structure of Metformin hydrochloride (CAS NO.1115-70-4):

IUPAC Name: 3-(Diaminomethylidene)-1,1-dimethylguanidine hydrochloride
Molecular Formula: C4H11N5.HCl
Molecular Weight: 165.62
H bond acceptors: 5
H bond donors: 5
Freely Rotating Bonds: 1
Polar Surface Area: 34.44Å2
Merck: 13,5963
Flash Point: 89.3 °C
Enthalpy of Vaporization: 46.06 kJ/mol
Boiling Point: 224.1 °C at 760 mmHg
Vapour Pressure: 0.0929 mmHg at 25°C
Melting point: 223-226 ºC
Appearance: Crystalline Solid
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals; API's; Miscellaneous Compounds
InChI
InChI=1/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H
Smiles
C(NC(N)=N)(N(C)C)=N.Cl
Metformin hydrochloride (CAS NO.1115-70-4) is derived by Dimethylamine salt reacting with Dicyandiamide.
| 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. |
Hazard Codes:
Xn
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
Metformin hydrochloride , with CAS number of 1115-70-4, can be called 1,1-Dimethyl-biguanidhydrochloride ; Diabefagos ; Diformin ; Dimethylbiguanidehydrochloride ; Dimethyldiguanidinehydrochloride . Metformin hydrochloride (CAS NO.1115-70-4) is an oral hypoglycemic agent.
