Ethoheptazine hydrochlorideProduct ingredient for Ethoheptazine

Name
Ethoheptazine hydrochloride
Drug Entry
Ethoheptazine

Ethoheptazine is marketed under the name Zactane. It is a phenazepine based opioid analgesic. It was invented in the 1950s and is related to other drugs such as proheptazine. Ethoheptazine is no longer marketed in the United States.

Accession Number
DBSALT002450
Structure
Synonyms
Ethoheptazine HCl
UNII
8KYO8O8JNO
CAS Number
5982-61-6
Weight
Average: 297.82
Monoisotopic: 297.1495567
Chemical Formula
C16H24ClNO2
InChI Key
XHRYXPJUXHWWJD-UHFFFAOYSA-N
InChI
InChI=1S/C16H23NO2.ClH/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;/h4-6,8-9H,3,7,10-13H2,1-2H3;1H
IUPAC Name
ethyl 1-methyl-4-phenylazepane-4-carboxylate hydrochloride
SMILES
Cl.CCOC(=O)C1(CCCN(C)CC1)C1=CC=CC=C1
ChemSpider
19952555
ChEMBL
CHEMBL3186813
Predicted Properties
PropertyValueSource
Water Solubility0.575 mg/mLALOGPS
logP3.32ALOGPS
logP2.9Chemaxon
logS-2.7ALOGPS
pKa (Strongest Basic)8.69Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area29.54 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity77.08 m3·mol-1Chemaxon
Polarizability29.92 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon