Heptaminol
heptaminol · 2-Heptanol, 6-amino-2-methyl- · Heptaminol API · TIMTEC-BB SBB004116 · 6-amino-2-methyl-2-heptano · 6-AMino-2-Methylheptan-2-ol · 6-Amino-2-methyl-2-heptanol · 2-Methyl-6-aminoheptane-2-ol
Identifiers & Physical Properties
| CAS No. | 372-66-7 |
|---|---|
| Molecular formula | C8H19NO |
| Average molar mass | 145.24 g/mol |
| Monoisotopic mass | 145.14666423 g/mol |
| SMILES | CC(N)CCCC(C)(C)O |
| InChIKey | LREQLEBVOXIEOM-UHFFFAOYSA-N |
| PubChem CID | 3590 |
| ChEMBL | CHEMBL2111076 |
| ChEBI | CHEBI:94362 |
| EC No. | 206-758-0 |
| DTXSID | DTXSID4048484 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 91.3 |
| Human Drugs | Pharmaceuticals |
| Collision Cross Section | 132.54 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Melting point | <25 °C |
| Boiling point | 115 °C (11.2515 mmHg) |
| Density | 0.895 |
| Refractive index | 1.455-1.457 |
| Storage conditions | Refrigerator |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 15.30±0.29(Predicted) |
| Physical state | Oily Liquid |
| Color | Clear colorless |
| EWG's Food Scores | 1 |
| FDA UNII | 3DQS188SY5 |
| ATC code | C01DX08 |
| GHS pictogram | GHS07,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H319-H315-H335-H314 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P280-P305+P351+P338-P337+P313P |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 45-36/37/39-26 |
| Customs code | 29221985 |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)HeptaminolDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Customs code | 29221985 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 45-36/37/39-26 |
| GHS hazard statements | H319-H315-H335-H314 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P280-P305+P351+P338-P337+P313P |
Applications & Uses
Description
Heptaminol is an aliphatic amine with cardiotonic and sympathomimetic activities. It decreases the amplitude of peak calcium currents by 30% in isolated guinea pig ventricular myocytes when used at a concentration of 100 μM. Heptaminol inhibits norepinephrine uptake and induces catecholamine release in primary bovine chromaffin cells. It increases blood pressure in cats when administered intravenously at a dose of 15 mg, an effect that can be blocked by reserpine .
Uses
vasodilator
Uses
Heptaminol is used in the preparation of drugs for treating cardiovascular and cerebrovascular diseases.