Pibutidine
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Pibutidine
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CAS No:
103922-33-4
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Formula:
C19H24N4O3
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Chemical Name:
Pibutidine
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Synonyms:
3-Cyclobutene-1,2-dione,3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]amino]-;3-Cyclobutene-1,2-dione,3-amino-4-[[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-,(Z)-;3-Cyclobutene-1,2-dione,3-amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]amino]-;3-Amino-4-[[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]amino]-3-cyclobutene-1,2-dione;Pibutidine
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CAS No:
Description
Pibutidine is an aromtic ether that is 4-(piperidin-1-ylmethyl)pyridin-2-ol in which the hydroxy group has been substituted by a {(2Z)-4-[(2-amino-3,4-dioxocyclobut-1-en-1-yl)amino]but-2-en-1-yl}oxy group. It is a H2 receptor antagonist which was developed for the treatment of peptic ulcers and duodenal ulcers. It has a role as a H2-receptor antagonist and an anti-ulcer drug. It is a member of piperidines, a member of pyridines, an aromatic ether, a member of cyclobutenones, an olefinic compound, a primary amino compound and a secondary amino compound. It is a conjugate base of a pibutidine(1+).
Characteristics
97.55000
1.94330
1.28g/cm3
225-230 °C (decomp)
531.3ºC
275.1ºC
1.621
2.28E-11mmHg at 25°C
Computed Properties
Molecular Weight:356.4
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:356.18484064
Monoisotopic Mass:356.18484064
Topological Polar Surface Area:97.6
Heavy Atom Count:26
Complexity:581
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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