Sinomenine hydrochlorideProduct ingredient for Sinomenine
- Name
- Sinomenine hydrochloride
- Drug Entry
- Sinomenine
- Accession Number
- DBSALT003226
- Structure
Structure for Sinomenine hydrochloride (DBSALT003226)
- Synonyms
- Cucoline HCl / Cucoline hydrochloride / Sinomenine HCl
- External IDs
- NSC-76021
- UNII
- 2J34HRJ45S
- CAS Number
- 6080-33-7
- Weight
- Average: 365.85
Monoisotopic: 365.139386 - Chemical Formula
- C19H24ClNO4
- InChI Key
- YMEVIMJAUHZFMW-VUIDNZEBSA-N
- InChI
- InChI=1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13+,19-;/m1./s1
- IUPAC Name
- (1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6,11-tetraen-13-one hydrochloride
- SMILES
- Cl.[H][C@]12C=C(OC)C(=O)C[C@]11CCN(C)[C@H]2CC2=CC=C(OC)C(O)=C12
- External Links
- ChemSpider
- 18012099
- Predicted Properties
Property Value Source logP 1.27 Chemaxon pKa (Strongest Acidic) 9.91 Chemaxon pKa (Strongest Basic) 8.76 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 93 m3·mol-1 Chemaxon Polarizability 35.01 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon