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| CAS No.: | 657-24-9 |
|---|---|
| Name: | Metformin |
| Molecular Structure: | |
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| Formula: | C4H11N5 |
| Molecular Weight: | 129.165 |
| Synonyms: | Biguanide,1,1-dimethyl- (6CI,8CI);1,1-Dimethylbiguanide;Cidophage;DMGG;Dimethylbiguanide;Emiphage;Ficonax;Fluamine;Flumamine;Gliguanid;Glucofine;Haurymelin;Metiguanide;Metphage;N,N-Dimethyl-imidodicarbonimidic diamide;N,N-Dimethylbiguanide;N,N-Dimethyldiguanide;N1,N1-Dimethylbiguanide;NNDG;N'-Dimethylguanylguanidine;Siofor;Imidodicarbonimidicdiamide, N,N-dimethyl-; |
| EINECS: | 211-517-8 |
| Density: | 1.28 g/cm3 |
| Melting Point: | 199-200 °C |
| Boiling Point: | 224.1 °C at 760 mmHg |
| Flash Point: | 89.3 °C |
| PSA: | 88.99000 |
| LogP: | 0.25650 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 20℃; for 0.5h; | 100% |
| With sodium hydroxide In water at 20℃; for 0.5h; | 99% |
| With sodium hydroxide In ethanol for 5h; | 99% |
- 657-24-9
dimethylbiguanide
| Conditions | Yield |
|---|---|
| With sodium hydroxide In isopropyl alcohol at 0 - 40℃; for 18.2h; Temperature; Solvent; | 93% |
| With sodium hydroxide In isopropyl alcohol at 39.84℃; for 3h; | |
| With sodium In ethanol at 60℃; for 1h; Reagent/catalyst; Solvent; Temperature; |
- 506-59-2
N,N-dimethylammonium chloride
- 127099-85-8, 780722-26-1
N-Cyanoguanidine
- 657-24-9
dimethylbiguanide
| Conditions | Yield |
|---|---|
| at 130 - 140℃; | |
| In butan-1-ol for 6h; Reflux; |
| Conditions | Yield |
|---|---|
| at 160℃; |
| Conditions | Yield |
|---|---|
| at 180℃; beim Erhitzen des Hydrochlorids; |
- 1170667-82-9
N1,N1-dimethyl-S-cyclohexyl-N4-thiohydroxybiguanidine
- 657-24-9
dimethylbiguanide
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 37℃; pH=1.0; Reactivity; |
- 1170667-83-0
N1,N1-dimethyl-S-phenyl-N4-thiohydroxybiguanidine
- 657-24-9
dimethylbiguanide
| Conditions | Yield |
|---|---|
| With human serum at 37℃; pH=7.4; Reactivity; Enzymatic reaction; Aqueous phosphate buffer; |
- 1378856-94-0
N,N-dimethylebiguanidinium chloride
- 657-24-9
dimethylbiguanide
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol for 2h; |
- 657-24-9
dimethylbiguanide
- 1200-22-2
(R)-1,2-dithiolane-3-pentanoic acid
- 959986-37-9
N,N-dimethylimidodicarbonimidic diamide R-(+)-lipoate
| Conditions | Yield |
|---|---|
| In methanol for 2h; Product distribution / selectivity; | 100% |
| In acetonitrile for 0.166667h; Product distribution / selectivity; | 95% |
| In acetone for 0.166667 - 0.5h; Product distribution / selectivity; | 95% |
| In methanol; acetone for 0.333333h; Product distribution / selectivity; |
- 657-24-9
dimethylbiguanide
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 1h; | 100% |
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- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Specification
1. Introduction of Metformin
Metformin is one kind of white or off-white crystal powder. The IUPAC name of 1,1-Dimethylbiguanide is 3-(diaminomethylidene)-1,1-dimethylguanidine. The classification codes are Antidiabetic; Drug / Therapeutic Agent; Hypoglycemic agents; Mutation data; Reproductive Effect. When heated to decomposition it emits toxic fumes of NOx. Besides, it is freely soluble as HCl salt.
2. Properties of Metformin
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.82; (4)ACD/LogD (pH 7.4): -3.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 33.35 cm3; (14)Molar Volume: 100.7 cm3; (15)Polarizability: 13.22×10-24 cm3; (16)Surface Tension: 50.8 dyne/cm; (17)Enthalpy of Vaporization: 46.06 kJ/mol; (18)Vapour Pressure: 0.0929 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 3; (21)Exact Mass: 129.101445; (22)MonoIsotopic Mass: 129.101445; (23)Topological Polar Surface Area: 91.5; (24)Heavy Atom Count: 9; (25)Complexity: 132.
3. Structure Descriptors of Metformin
People can use the following data to convert to the molecule structure.
(1)SMILES:[N@H]=C(\N=C(/N)N)N(C)C
(2)InChI:InChI=1/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
(3)InChIKey:XZWYZXLIPXDOLR-UHFFFAOYAB
(4)Canonical SMILES : CN(C)C(=N)N=C(N)N
4. Toxicity of Metformin
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LD50 | parenteral | 5gm/kg (5000mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archiwum Immunologii i Terapii Doswiadczalnej. Vol. 2, Pg. 1, 1954. |
| guinea pig | LD50 | subcutaneous | 146mg/kg (146mg/kg) | Medicina Experimentalis. Vol. 8, Pg. 237, 1963. | |
| man | TDLo | oral | 321mg/kg/15D- (321mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)" | New England Journal of Medicine. Vol. 339, Pg. 1860, 1998. |
| mouse | LD50 | intraperitoneal | 247mg/kg (247mg/kg) | Journal of Medicinal Chemistry. Vol. 10, Pg. 521, 1967. | |
| mouse | LD50 | oral | 1450mg/kg (1450mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967. | |
| mouse | LD50 | subcutaneous | 230mg/kg (230mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archiwum Immunologii i Terapii Doswiadczalnej. Vol. 2, Pg. 1, 1954. |
| women | TDLo | oral | 191mg/kg/9D-I (191mg/kg) | LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA | Postgraduate Medical Journal. Vol. 76, Pg. 125, 2000. |
5. Physical Properties of Metformin
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | -2.640 | (none) | EST | |
| Atmospheric OH Rate Constant | 1.53E-10 | cm3/molecule-sec | 25 | EST |
6. Uses of Metformin
Metformin is a biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. It can react with imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester to get 6-imidazo[1,2-a]pyridin-2-yl-N,N-dimethyl-[1,3,5]triazine-2,4-diamine. This reaction needs reagent sodium methoxide and solvent methanol. The yield is 36%.
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