Diprenorphine hydrochlorideProduct ingredient for Diprenorphine
- Name
- Diprenorphine hydrochloride
- Drug Entry
- Diprenorphine
A narcotic antagonist similar in action to naloxone. It is used to remobilize animals after etorphine neuroleptanalgesia and is considered a specific antagonist to etorphine. [PubChem]
- Accession Number
- DBSALT001649
- Structure
Structure for Diprenorphine hydrochloride (DBSALT001649)
- Synonyms
- Diprenorphine HCl
- UNII
- WBS7IEP4SN
- CAS Number
- 16808-86-9
- Weight
- Average: 462.03
Monoisotopic: 461.2332863 - Chemical Formula
- C26H36ClNO4
- InChI Key
- UNPUINKKJUSSDZ-UVGWPQHUSA-N
- InChI
- InChI=1S/C26H35NO4.ClH/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25;/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3;1H/t18-,19-,22-,24-,25+,26-;/m1./s1
- IUPAC Name
- (1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11-trien-11-ol hydrochloride
- SMILES
- Cl.[H][C@@]1(C[C@@]23CC[C@]1(OC)[C@@H]1OC4=C(O)C=CC5=C4[C@]21CCN(CC1CC1)[C@@H]3C5)C(C)(C)O
- External Links
- ChemSpider
- 19994548
- Predicted Properties
Property Value Source Water Solubility 0.104 mg/mL ALOGPS logP 3.52 ALOGPS logP 2.28 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 10.42 Chemaxon pKa (Strongest Basic) 9.63 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 118.37 m3·mol-1 Chemaxon Polarizability 47.74 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon