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
Thumb
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[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]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
PubChem Compound
23623749
ChemSpider
19968656
Predicted Properties
PropertyValueSource
Water Solubility0.112 mg/mLALOGPS
logP3.29ALOGPS
logP2.47ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)10.21ChemAxon
pKa (Strongest Basic)8.99ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area62.16 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity116.51 m3·mol-1ChemAxon
Polarizability45.52 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon