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
Thumb
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[7.5.3.0¹,¹⁰.0²,⁷]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
PropertyValueSource
Water Solubility0.16 mg/mLALOGPS
logP3.65ALOGPS
logP2.89ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)9.86ChemAxon
pKa (Strongest Basic)10.7ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area43.7 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity95.92 m3·mol-1ChemAxon
Polarizability37.78 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon