 Home > Encyclopedia > 3-Cyclobutene-1,2-dione, 3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-, monohydrochloride

3-Cyclobutene-1,2-dione, 3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-, monohydrochloride

3-Cyclobutene-1,2-dione, 3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-, monohydrochloride structure

CAS No:
126463-66-9
Formula:
C19H24N4O3.ClH
Chemical Name:
3-Cyclobutene-1,2-dione, 3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-, monohydrochloride
Synonyms:
3-Cyclobutene-1,2-dione,3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-,monohydrochloride;3-Cyclobutene-1,2-dione,3-amino-4-[[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-,monohydrochloride,(Z)-;IT 066;Pibutidine hydrochloride

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Description

Pibutidine hydrochloride is the hydrochloride salt of pibutidine. It is a H2 receptor antagonist which was developed for the treatment of peptic ulcers and duodenal ulcers. It was in phase III clinical trials in Japan (now discontinued). It has a role as an anti-ulcer drug and a H2-receptor antagonist. It contains a pibutidine(1+).

3-Cyclobutene-1,2-dione, 3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-, monohydrochloride Basic Attributes

Molecular Weight：

392.88000

Exact Mass：

392.1615184

UNII：

IF88DF5F6V

Characteristics

PSA：

97.55000

XLogP3：

2.74530

Boiling Point：

531.3ºC

Flash Point：

275.1ºC

Vapor Pressure：

2.28E-11mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-amino-4-(4-(4-(1-piperidinomethyl)-2-pyridyloxy)-2-butenylamino)-3-cyclobutene-1,2-dione

Computed Properties

Molecular Weight:392.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:392.1615184
Monoisotopic Mass:392.1615184
Topological Polar Surface Area:97.6
Heavy Atom Count:27
Complexity:581
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3-Cyclobutene-1,2-dione, 3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-, monohydrochloride

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

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