Deoxyepinephrine hydrochlorideProduct ingredient for Deoxyepinephrine
- Name
- Deoxyepinephrine hydrochloride
- Drug Entry
- Deoxyepinephrine
Sympathomimetic, vasoconstrictor agent.
- Accession Number
- DBSALT002577
- Structure
Structure for Deoxyepinephrine hydrochloride (DBSALT002577)
- Synonyms
- 3,4-dihydroxyphenylethylmethylamine hydrochloride / 4-(2-methylaminoethyl)-1,2-benzenediol hydrochloride / 4-(2-methylaminoethyl)pyrocatechol hydrochloride / Ephinine hydrochloride / Epinine hydrochloride / Methyldopamine hydrochloride / N-methyldopamine hydrochloride
- UNII
- ZV3MG8PAX3
- CAS Number
- 62-32-8
- Weight
- Average: 203.67
Monoisotopic: 203.0713064 - Chemical Formula
- C9H14ClNO2
- InChI Key
- JCDRZCWRRLKLTB-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H13NO2.ClH/c1-10-5-4-7-2-3-8(11)9(12)6-7;/h2-3,6,10-12H,4-5H2,1H3;1H
- IUPAC Name
- 4-[2-(methylamino)ethyl]benzene-1,2-diol hydrochloride
- SMILES
- Cl.CNCCC1=CC(O)=C(O)C=C1
- External Links
- ChemSpider
- 77985
- ChEMBL
- CHEMBL1256484
- Predicted Properties
Property Value Source Water Solubility 6.28 mg/mL ALOGPS logP 0.03 ALOGPS logP 0.32 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 9.27 Chemaxon pKa (Strongest Basic) 10.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 52.49 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 48.02 m3·mol-1 Chemaxon Polarizability 18.29 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon