罂粟碱（碱和/或未指定的盐）

Description

Papaverine (base and/or unspecified salts) · CAS 58-74-2 · C20H21NO4. UNII DAA13NKG2Q. Boiling Point: Sublimes at 135 °C; Melting Point: 226; Melting Point: 147.5 °C.

Identification

CAS Registry Number	58-74-2
PubChem CID	4680
Molecular formula	C20H21NO4
IUPAC name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
UNII (FDA)	DAA13NKG2Q

Computed Descriptors

Molecular Weight	339.4
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	339.14705815
Monoisotopic Mass	339.14705815
Topological Polar Surface Area	49.8
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Boiling Point	Sublimes at 135 °C
Melting Point	226
Melting Point	147.5 °C
Solubility	In water, 3.733X10-5 mg/L at 37.5 °C
Solubility	In water, 35 mg/L at 17 °C
Solubility	1.29e-02 g/L
Density	1.337 g/cu cm at 20 °C
LogP	log Kow = 2.95
LogP	2.95
Dissociation Constants	pKa = 8.07 at 25 °C

Physical description & handling notes

• Solid
• White prisms from alcohol-diethyl ether; needles from petroleum ether
• Triboluminescent, orthorhombic prisms from alcohol + ether
• White crystalline powder
• White, monoclinic prisms from water. MP: 224.5 °C; Very soluble in water, ethanol /Papaverine hydrochloride/
• Slightly soluble in water; very soluble in ethanol, chloroform; soluble in acetone, benzene, pyridine

GHS Hazard Classification

Reported hazard statements	H302

Documented Uses

• A vasodilator used for treatment of hypertension (also as the hydrochloride which is soluble in water).
• Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
• Papaverine was synthesized via the Bischler-Napieralski reaction as follows: the Schotten-Baumann reaction between the phenethylamine and the acyl chloride gave the amide. Cyclization with phosphorous pentoxide afforded the 3,4-dihydroisoquinoline. Mild dehydrogenation of /3,4-dihydroisoquinoline/ gave papaverine.
• For the treatment of impotence and vasospasms.
• Breast Feeding; Lactation; Milk, Human; Phosphodiesterase Inhibitors; Vasodilator Agents; Urological Agents
• Papaverine (Class: Narcotics, Added Date: 10-1998)

Synonyms

papaverine; 58-74-2; Robaxapap; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline; 6,7-Dimethoxy-1-veratrylisoquinoline; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; Pavacap; Papaverinum; DAA13NKG2Q; 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline; NSC-136630; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-; DTXSID4023418; Pavatym; CHEBI:28241

Frequently Asked Questions

What are the CAS number and molecular formula of Papaverine (base and/or unspecified salts)?

CAS 58-74-2; molecular formula C20H21NO4; molecular weight — g/mol.

What other names is Papaverine (base and/or unspecified salts) known by?

papaverine, 58-74-2, Robaxapap, 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline, 6,7-Dimethoxy-1-veratrylisoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline.

Is Papaverine (base and/or unspecified salts) classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of Papaverine (base and/or unspecified salts)?

Boiling Point: Sublimes at 135 °C; Melting Point: 226; Melting Point: 147.5 °C; Solubility: In water, 3.733X10-5 mg/L at 37.5 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.