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4’-Demethyl Papaverine

CAT: 0572-TRC-D231195-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D231195-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18813-60-0
Hazard Statement
No Data Available
Smiles
COc1cc(Cc2nccc3cc(OC)c(OC)cc23)ccc1O
Molecular Formula
C19 H19 N O4
Molecular Weight
325.358
InChI
InChI=1S/C19H19NO4/c1-22-17-9-12(4-5-16(17)21)8-15-14-11-19(24-3)18(23-2)10-13(14)6-7-20-15/h4-7,9-11,21H,8H2,1-3H3
Additionnal Information
IUPAC name: 4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
Shipping Conditions
Room Temperature

Chemical Information

4'-Hydroxypapaverine

4'-Desmethylpapaverine is a member of isoquinolines.

CAS Number18813-60-0
PubChem CID100248
IUPAC Name4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxyphenol
Molecular FormulaC19H19NO4
Molecular Weight325.4
XLogP3.6
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity394
SMILES
COC1=C(C=CC(=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)O
InChI
InChI=1S/C19H19NO4/c1-22-17-9-12(4-5-16(17)21)8-15-14-11-19(24-3)18(23-2)10-13(14)6-7-20-15/h4-7,9-11,21H,8H2,1-3H3
InChIKey
NKHOXTRNHKKYSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxypapaverine
CAS: 18813-60-0
CID: 100248
Formula: C19H19NO4
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass325.13140809
Monoisotopic Mass325.13140809
Topological Polar Surface Area60.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity394
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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Alternative Products

CatalogName
271418-014'-Demethyl papaverine
271417-013'-Demethyl papaverine
CS-T-1031976-Demethyl Papaverine-d3
271419-016-Demethyl Papaverine discontinued
sc-2173356-Demethyl Papaverine β-D-Glucuronide
MBS6087021-016-Demethyl 6-O-Benzyl Papaverine
sc-2173376-Demethyl Papaverine-d3 β-D-Glucuronide
RM-P160964-01Papaverine Impurity 4
272099-014',6-Didemethyl papaverine discontinued
MBS6051177-01Papaverine Hydrochloride (1-[(3,4-Dimethoxyphenyl)-methyl]-6,7-dimethoxyisoquinoline Hydrochloride, Artegodan, Cepaverin, Cerebid, Cerespan, Dynovas, Optenyl, Vasal, Vasospan)

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