Noscapine hydrochlorideProduct ingredient for Noscapine
- Name
- Noscapine hydrochloride
- Drug Entry
- Noscapine
- Accession Number
- DBSALT001995
- Structure
- Synonyms
- Not Available
- UNII
- TTN62ITH9I
- CAS Number
- 912-60-7
- Weight
- Average: 449.88
Monoisotopic: 449.1241298 - Chemical Formula
- C22H24ClNO7
- InChI Key
- MFLVZFXCSKVCSH-URBRKQAFSA-N
- InChI
- InChI=1S/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H/t17-,18+;/m1./s1
- IUPAC Name
- (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one hydrochloride
- SMILES
- Cl.COC1=CC=C2[C@H](OC(=O)C2=C1OC)[C@@H]1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
- External Links
- ChemSpider
- 390784
- ChEMBL
- CHEMBL2106732
- Predicted Properties
Property Value Source Water Solubility 0.181 mg/mL ALOGPS logP 2 ALOGPS logP 2.58 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 12.86 Chemaxon pKa (Strongest Basic) 7.14 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 75.69 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 107.08 m3·mol-1 Chemaxon Polarizability 41.17 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