Cetraxate
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Cetraxate
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CAS No:
34675-84-8
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Formula:
C17H23NO4
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Chemical Name:
Cetraxate
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Synonyms:
Benzenepropanoic acid,4-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]oxy]-;Benzenepropanoic acid,4-[[[4-(aminomethyl)cyclohexyl]carbonyl]oxy]-,trans-;4-[[[trans-4-(Aminomethyl)cyclohexyl]carbonyl]oxy]benzenepropanoic acid;p-(2-Carboxyethyl)phenyl trans-4-(aminomethyl)cyclohexanecarboxylate;Tranexamic acid,p-(2-carboxyethyl)phenyl ester;Cetraxate
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CAS No:
Description
Cetraxate is a cyclohexanecarboxylate ester that consists of 4-(2-carboxyethyl)phenyl cyclohexanecarboxylate bearing an aminomethyl substituent at the 4-position. It has a role as an anti-ulcer drug. It is a tautomer of a cetraxate zwitterion.
Characteristics
89.62000
3.07460
1.182g/cm3
200-280 °C
480.9ºC at 760mmHg
244.6ºC
1.551
Peritoneal-rat LD50: 716 mg/kg; peritoneal-mouse LD50: 1520 mg/kg
Thermal decomposition to emit toxic nitrogen oxide fumes
Drug Information
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)
4-(2-carboxyethyl)phenyl-trans-4-aminomethylcyclohexane carboxylate hydrochloride
Cetraxate Use and Manufacturing
Compound (I) is chlorinated with 1.2 times thionyl chloride in dichloroethane to obtain acid chloride (II). Then react with benzyl p-hydroxyphenylpropionate (III), and the product (IV) is hydrogenolyzed and hydrolyzed to obtain cetrimonate.
Anti-ulcer drugs. Used to treat gastritis.
Computed Properties
Molecular Weight:305.4
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:305.16270821
Monoisotopic Mass:305.16270821
Topological Polar Surface Area:89.6
Heavy Atom Count:22
Complexity:369
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes