Compound Summary
PAPAVERINE HYDROCHLORIDE
Compound Information
PAPAVERINE HYDROCHLORIDE
Compound Name: | PAPAVERINE HYDROCHLORIDE |
Compound CID: | 6084 |
Synonyms: | PAPAVERINE HYDROCHLORIDE |
Iupac Name: | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride |
InChI: | InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H |
InChIKey: | UOTMYNBWXDUBNX-UHFFFAOYSA-N |
Canonical Smiles: | COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl |
Isomeric Smiles: | COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl |
Molecular Weight: | 375.8 |
Molecular Formula: | C20H22ClNO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PAPAVERINE HYDROCHLORIDE
Molecular Weight: | 375.8 |
Molecular Formula: | C20H22ClNO4 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 26 |
Complexity: | 407 |
Synonyms
PAPAVERINE HYDROCHLORIDE
Experimental Data
PAPAVERINE HYDROCHLORIDE
Experimental Data Visualization
PAPAVERINE HYDROCHLORIDE
Statistics Data
PAPAVERINE HYDROCHLORIDE
Statistics Data Visualization
PAPAVERINE HYDROCHLORIDE
