Metabolite Dextrorphan sulfate

Name
Dextrorphan sulfate
Description
Not Available
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Synonyms
Not Available
UNII
RRU8062866
CAS number
Not Available
Weight
Average: 337.434
Monoisotopic: 337.134778919
Chemical Formula
C17H23NO4S
InChI Key
WVXRTBLFQVXOLU-PVAVHDDUSA-N
InChI
InChI=1S/C17H23NO4S/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(11-15(12)17)22-23(19,20)21/h5-6,11,14,16H,2-4,7-10H2,1H3,(H,19,20,21)/t14-,16+,17+/m1/s1
IUPAC Name
[(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-yl]oxidanesulfonic acid
SMILES
[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OS(O)(=O)=O)C=C2
Reactions
Not Available
Predicted Properties
Property Value Source
Water Solubility 0.0398 mg/mL ALOGPS
logP 0.69 ALOGPS
logP 1.39 Chemaxon
logS -3.9 ALOGPS
pKa (Strongest Acidic) -1.7 Chemaxon
pKa (Strongest Basic) 9.77 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 4 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 66.84 Å2 Chemaxon
Rotatable Bond Count 2 Chemaxon
Refractivity 88.07 m3·mol-1 Chemaxon
Polarizability 35.17 Å3 Chemaxon
Number of Rings 4 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
医学博士DR-like Rule No Chemaxon