Butorphanol tartrateProduct ingredient for Butorphanol
- Name
- Butorphanol tartrate
- Drug Entry
- Butorphanol
A synthetic morphinan analgesic with narcotic antagonist action. It is used in the management of severe pain.
- Accession Number
- DBSALT000276
- Structure
Structure for Butorphanol tartrate (DBSALT000276)
- Synonyms
- Not Available
- UNII
- 2L7I72RUHN
- CAS Number
- 58786-99-5
- Weight
- Average: 477.5473
Monoisotopic: 477.236267101 - Chemical Formula
- C25H35NO8
- InChI Key
- GMTYREVWZXJPLF-AFHUBHILSA-N
- InChI
- InChI=1S/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;1-,2-/m10/s1
- IUPAC Name
- (1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4,10-diol; (2S,3S)-2,3-dihydroxybutanedioic acid
- SMILES
- [H][C@@](O)(C(O)=O)[C@]([H])(O)C(O)=O.[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1
- External Links
- PubChem Compound
- 5464090
- ChemSpider
- 10481970
- ChEBI
- 3243
- Wikipedia
- Butorphanol
- Predicted Properties
Property Value Source Water Solubility 0.16 mg/mL ALOGPS logP 3.65 ALOGPS logP 2.89 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 9.86 Chemaxon pKa (Strongest Basic) 10.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 43.7 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 95.92 m3·mol-1 Chemaxon Polarizability 37.78 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon