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Papaveroline

CAT: 0013-GTR19242197-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242197-02Size:10 mg
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Description
Papaveroline is a vasodilating alkaloid used in cardiovascular research. It serves as a tool compound for in vitro studies on vascular smooth muscle relaxation and in vivo investigations into hemodynamics and blood pressure regulation.
CAS Number
574-77-6
Field of Research
Pharmacology & Drug Discovery
Smiles
OC1=CC=C (C=C1O) CC2=NC=CC=3C=C (O) C (O) =CC32
Molecular Formula
C16H13NO4
Molecular Weight
283.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Papaveroline

Papaveroline is a member of isoquinolines.

CAS Number574-77-6
PubChem CID5459346
IUPAC Name1-[(3,4-dihydroxyphenyl)methyl]isoquinoline-6,7-diol
Molecular FormulaC16H13NO4
Molecular Weight283.28
XLogP2.6
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity353
SMILES
C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)O)O)O)O
InChI
InChI=1S/C16H13NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-4,6-8,18-21H,5H2
InChIKey
MXQKCNCLQIHHJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Papaveroline
CAS: 574-77-6
CID: 5459346
Formula: C16H13NO4
MW: 283.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.28
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass283.08445790
Monoisotopic Mass283.08445790
Topological Polar Surface Area93.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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