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Moxaverine hydrochloride

CAT: 0013-GTR19208903-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208903-01Size:25 mg
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Description
Moxaverine hydrochloride is a papaverine-derived phosphodiesterase inhibitor. It has been investigated in phase III clinical trials for improving ocular blood flow in conditions like age-related macular degeneration and glaucoma. Research applications include in vitro studies on vascular relaxation and in vivo models of ocular hemodynamics.
CAS Number
1163-37-7
Field of Research
Pharmacology & Drug Discovery
Smiles
Cl.CCC1=CC2=CC (OC) =C (OC) C=C2C (CC2=CC=CC=C2) =N1
Molecular Formula
C20H22ClNO2
Molecular Weight
343.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoquinoline, 3-ethyl-6,7-dimethoxy-1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number1163-37-7
PubChem CID70881
IUPAC Name1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline;hydrochloride
Molecular FormulaC20H22ClNO2
Molecular Weight343.8
Topological Polar Surface Area31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity356
SMILES
CCC1=NC(=C2C=C(C(=CC2=C1)OC)OC)CC3=CC=CC=C3.Cl
InChI
InChI=1S/C20H21NO2.ClH/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14;/h5-9,11-13H,4,10H2,1-3H3;1H
InChIKey
DULZSDGCXSLVAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoquinoline, 3-ethyl-6,7-dimethoxy-1-(phenylmethyl)-, hydrochloride (1:1)
CAS: 1163-37-7
CID: 70881
Formula: C20H22ClNO2
MW: 343.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass343.1339066
Monoisotopic Mass343.1339066
Topological Polar Surface Area31.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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