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Carbenoxolone

Carbenoxolone structure

CAS No:
5697-56-3
Formula:
C34H50O7
Chemical Name:
Carbenoxolone
Synonyms:
Olean-12-en-29-oic acid,3-(3-carboxy-1-oxopropoxy)-11-oxo-,(3β,20β)-;Olean-12-en-30-oic acid,3β-hydroxy-11-oxo-,hydrogen succinate;Olean-12-en-30-oic acid,3β-hydroxy-11-oxo-,succinate;(3β,20β)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid;Biogastrone;Carbenoxolone;3β-Hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate;3-O-(β-Carboxypropionyl)-11-oxo-18β-olean-12-en-30-oic acid;Glycyrrhetinic acid hydrogen succinate;Glycyrrhetinic acid succinate;13020-80-9;60093-85-8;108064-10-4;885512-34-5;906421-35-0;2268037-89-2
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

Description

Carbenoxolone, a semi-synthetic derivative of glycyrrhetinic acid, has previously been used for the management of dyspepsia and peptic ulcer because of its anti-inflammatory properties[3]. Carbenoxolone, a general hemichannel and gap junction inhibitor, has the therapeutic potential of carbenoxolone in the treatment of chronic liver disease[2]. Carbenoxolone is a suitable candidate for the inhibition of Aβ42 aggregation and the therapeutic potential of Cbx against AD[1]. Carbenoxolone is

Carbenoxolone Basic Attributes

Molecular Weight：

570.76

Exact Mass：

570.76

EC Number：

227-174-2

DSSTox ID：

DTXSID4022733

HScode：

2938909030

Characteristics

PSA：

117.97000

XLogP3：

6.82830

Appearance：

White crystalline powder

Density：

1.2

Melting Point：

292.5 °C

Boiling Point：

687.4ºC at 760 mmHg

Flash Point：

211.6ºC

Water Solubility：

6.621mg/L(24 ºC)

Toxicity：

Oral-rat LD50: 2450 mg/kg; Celiac-rat LD50: 128 mg/kg

Flammability characteristics：

Combustion produces irritating smoke; side effects of drugs: muscle weakness, weakness, paralysis, paralysis

Specific rotation：

D20 +128° (chloroform)

Safety Information

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S26-S36-S37/39

Marks：

Storage features：

Ventilated, low temperature and dry

Toxicity

Toxicity class：

highly toxic

Carbenoxolone Use and Manufacturing

Uses

Glucocorticoid.

Manufacturing Info：

Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3.beta.,20.beta.)-: INACTIVE

Computed Properties

Molecular Weight:570.8
XLogP3:6.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:570.35565393
Monoisotopic Mass:570.35565393
Topological Polar Surface Area:118
Heavy Atom Count:41
Complexity:1200
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5697-56-3

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