Etorphine HydrochlorideProduct ingredient for Etorphine
- Name
- Etorphine Hydrochloride
- Drug Entry
- Etorphine
A narcotic analgesic morphinan used as a sedative in veterinary practice. In certain countries, etorphine is classified as a Schedule 1 drug and hence, in these countries, it can be used legally only by health professionals and for research purposes. Etorphine is only available to the patients under an official prescription. In the US, Etorphine is listed as a Schedule I drug, although Etorphine hydrochloride is classified as Schedule II.
- Accession Number
- DBSALT000825
- Structure
Structure for Etorphine Hydrochloride (DBSALT000825)
- Synonyms
- Etorphine HCl
- UNII
- 8CBE01N748
- CAS Number
- 13764-49-3
- Weight
- Average: 447.995
Monoisotopic: 447.217636288 - Chemical Formula
- C25H34ClNO4
- InChI Key
- JNHPUZURWFYYHW-DTUSRQQPSA-N
- InChI
- InChI=1S/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H/t17-,18-,21-,22-,23-,24+,25-;/m1./s1
- IUPAC Name
- (1R,2R,6S,14R,15R,19R)-19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11,16-tetraen-11-ol hydrochloride
- SMILES
- Cl.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@@]11C[C@]([H])([C@](C)(O)CCC)[C@]2(OC)C=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.112 mg/mL ALOGPS logP 3.29 ALOGPS logP 2.47 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 10.21 Chemaxon pKa (Strongest Basic) 8.99 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 62.16 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 116.51 m3·mol-1 Chemaxon Polarizability 45.52 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon