Product Ingredient Carfentanil citratefor DB01535 (Carfentanil)

Name
Carfentanil citrate
Drug
DB01535 (Carfentanil)
Structure
Thumb
Synonyms
Not Available
UNII
7LG286J8GV
CAS Number
61380-27-6
Weight
Average: 586.638
Monoisotopic: 586.252645432
Chemical Formula
C30H38N2O10
InChI Key
ZSLYVCXNFQPCGT-UHFFFAOYSA-N
InChI
InChI=1S/C24H30N2O3.C6H8O7/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-13H,3,14-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid; methyl 1-(2-phenylethyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC
External Links
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0259 mg/mLALOGPS
logP3.7ALOGPS
logP3.67ChemAxon
logS-4.2ALOGPS
pKa (Strongest Basic)8.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area49.85 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity114.38 m3·mol-1ChemAxon
Polarizability43.79 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon