 Home > Encyclopedia > 4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3)

4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3)

4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3) structure

CAS No:
72716-75-7
Formula:
C21H27N5O2S.3ClH
Chemical Name:
4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3)
Synonyms:
4(3H)-Pyrimidinone,2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-,hydrochloride (1:3);4(1H)-Pyrimidinone,2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-,trihydrochloride;SKF 93479;Lupitidine hydrochloride

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4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3) Basic Attributes

Molecular Weight：

522.91900

Exact Mass：

521.118579

UNII：

XKU5YY749W

DSSTox ID：

DTXSID5020786

Characteristics

PSA：

115.84000

XLogP3：

5.30420

Melting Point：

212-214 °C @ Solvent: Methanol, Ethanol

Boiling Point：

624.6ºC at 760 mmHg

Flash Point：

331.5ºC

Drug Information

MeSH：

Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood. (See all compounds classified as Histamine H2 Antagonists.)

MeSH Entry Terms：

2-(2-(5-dimethylaminomethylfuran-2-ylmethylthio)ethylamino)-5-(6-methylpyrid-3-ylmethyl)pyrimid-4-one

Computed Properties

Molecular Weight:522.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:521.118579
Monoisotopic Mass:521.118579
Topological Polar Surface Area:108
Heavy Atom Count:32
Complexity:610
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

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Guide of 4(3H)-Pyrimidinone, 2-[[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-, hydrochloride (1:3)

Basic Attributes
Characteristics
Drug Information
Computed Properties
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