| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2014 | 0 | No |
Popular Name: metformin hydrochloride metformin hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1115-70-4 , 15537-72-1 , 657-24-9 , [1115-70-4] , [657-24-9]
1,1-dimethylbiguanide hydrochloride
1,1-Dimethylbiguanide hydrochloride, 97%
1,1-Dimethylbiguanide; Metformin
1,1-Dimethylbiguanidehydrochloride
11-DIMETHYLBIGUANIDEHYDROCHLORIDE
Metformin hydrochloride (Glucophage)
N,N-dimethylimidodicarbonimidic diamide
| 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 | 3.39 | -5.37 | 5 | 5 | 0 | 89 | 129.167 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.38e+00 g/l | DrugBank-approved |
| Mp [°C] | 218 - 223 | Acros Organics |
| UniProt Database Links | AAPK1_HUMAN; AAPK2_HUMAN; S22A1_BOVIN; S22A1_HUMAN; S22A1_MOUSE; S22A1_PIG; S22A1_RABIT; S22A1_RAT; S22A2_HUMAN; S22A2_MOUSE; S22A2_PIG; S22A2_PONAB; S22A2_RABIT; S22A2_RAT; S47A1_DANRE; S47A1_HUMAN; S47A1_MOUSE; S47A1_PONAB; S47A1_RAT; S47A1_XENTR; S47A2 | ChEBI |
| Indications | antidiabetic | KeyOrganics Bioactives |
| Patent Database Links | EP1004304; EP1088824; EP1136071; EP1258253; EP1338600; EP1354882; EP1391460; EP1493443; EP1500403; EP1510208; EP1514550; EP1520581; EP1520582; EP1557165; EP1559419; EP1559710; EP1591114; EP1595544; EP1607396; EP1625847; EP1634605; EP1666034; EP1674088; EP | ChEBI |
| 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 |
| Target | Others | Selleck Chemicals |
| 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 |
| Reactome Database Links | REACT_20650; REACT_22221; REACT_22283; REACT_22327; REACT_22348 | ChEBI |
| 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 |
| Description | Species |
|---|---|
| Organic cation transport | |
| Transport of glucose and other sugars, bile salts and organic acids, metal ions |
No pre-computed analogs available. Try a structural similarity search.