| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2008 | 9 | No |
Popular Name: Metformin hydrochloride Metformin hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1115-70-4 , 1115-70-4, 657-24-9(metformin) , 657-24-9 , [1115-70-4] , [657-24-9]
(E)-3-[amino(dimethylamino)methylidene]guanidine
1,1-Dimethylbiguanide hydrochloride
1,1-Dimethylbiguanide hydrochloride, 97%
1-carbamimidamido-N,N-dimethylmethanimidamide
1115-70-4; D00944; Glucophage (TN); Metformin hydrochloride (JP16/USP)
1115-70-4; Metformin hydrochloride; Prestwick_519
3-(diaminomethylidene)-1,1-dimethylguanidine
657-24-9; D04966; Metformin (USAN/INN)
Imidodicarbonimidic diamide, N,N-dimethyl-
Imidodicarbonimidic diamide-, N,N-dimethyl-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.13 | 3.38 | -9.57 | 5 | 5 | 0 | 89 | 129.167 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.26 | 2.21 | -25.45 | 6 | 5 | 1 | 93 | 130.175 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.13 | 3.29 | -32.15 | 6 | 5 | 1 | 91 | 130.175 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.13 | 3.35 | -27.94 | 6 | 5 | 1 | 91 | 130.175 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 218 - 223 | Acros Organics |
| MP | 223 - 226 | Enamine Building Blocks |
| MP | 223...226 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Indications | antidiabetic | KeyOrganics Bioactives |
| Purity | EP98 | APIChem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| biological_use | Oral hypoglycaemic agent | IBScreen Bioactives IBScreen Bioactives |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| mechanism | Stimulator of hepatic enzyme AMP-activated protein kinase (AMPK) | IBScreen Bioactives |
| Indications | type II diabetes | KeyOrganics Bioactives |
| biological_use | Used for treatment of type 2 diabetes | IBScreen Bioactives |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020-6-O | HepG2 (Hepatoblastoma Cells) (cluster #6 Of 8), Other | Other | 270 | 1.02 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 270 | 1.02 | Functional ≤ 10μM |
