Ethoheptazine citrateProduct ingredient for Ethoheptazine
- Name
- Ethoheptazine citrate
- 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
- DBSALT001084
- Structure
Structure for Ethoheptazine citrate (DBSALT001084)
- Synonyms
- Not Available
- UNII
- LXK8EE245D
- CAS Number
- 6700-56-7
- Weight
- Average: 453.488
Monoisotopic: 453.199881582 - Chemical Formula
- C22H31NO9
- InChI Key
- KCVHFFSPDODYOG-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- IUPAC Name
- 2-hydroxypropane-1,2,3-tricarboxylic acid; ethyl 1-methyl-4-phenylazepane-4-carboxylate
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC(=O)C1(CCCN(C)CC1)C1=CC=CC=C1
- External Links
- ChemSpider
- 21676
- ChEBI
- 31567
- ChEMBL
- CHEMBL1201887
- Predicted Properties
Property Value Source Water Solubility 0.575 mg/mL ALOGPS logP 3.32 ALOGPS logP 2.9 Chemaxon logS -2.7 ALOGPS pKa (Strongest Basic) 8.69 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 77.08 m3·mol-1 Chemaxon Polarizability 29.6 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon