Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate

Basic Information

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CAS Number

7421-40-1

Molecular Formula

C34H48Na2O7

Molecular Weight

614.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Boiling Point

687.4°C at 760 mmHg

Water Solubility

Soluble in water to 100 mM.

Flash Point

211.6°C

SMILES

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O=C(OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)[O-])C)C)C)CCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1

InChIKey

BQENDLAVTKRQMS-SBBGFIFASA-L

LogP

4.15890

pKa

pKa1 4.18; pKa2 5.52(at 25℃)

Complexity

1190

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Toxicity

LD50 in male mice (mg/kg): 198 i.v.; 120 i.p.; in male rats (mg/kg): 3200 orally (Robson, Sullivan)

Synonyms & References

English

Carbenoxolone disodium
Disodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-(4-oxido-4-oxobutanoyl)oxy-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
Carbenoxolone (sodium salt) NEW
Carbenoxolone disodium salt
Carbenoxolone disodium,(3β,20β)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oicaciddisodium
Biogastrone
Carbenoxalone Sodium
Carbenoxolon-Dinatriumsalz
CARBENOXOLONE SODIUM
duogastrone
neogel
pyrogastrone
sanodin
sodium carbenoxolone
ulcus-tablinen

MDL Number

MFCD03840711

FAQ

What is Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1)?

Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1) is a complex organic compound with a chemical structure involving a triterpenoid skeleton with specific functional groups including a carboxylate ester. It is highly polar and has hydrophilic properties.

What are the main uses of Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1)?

This compound is primarily used in pharmaceutical research as a potential therapeutic agent due to its triterpenoid structure. It may have applications in cancer research and drug development, though commercial use is limited.

Is Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1) safe?

The safety of this compound depends on the context of use. It is generally safe when handled properly in a laboratory setting. However, direct skin contact or inhalation should be avoided. Protective gloves and goggles are recommended during handling.

How should Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1) be stored?

This compound should be stored in a tightly sealed container to prevent degradation. It should be kept in a cool, dry place away from direct sunlight. Store at room temperature (15-25°C) and protect from moisture and humidity to maintain its stability and integrity.

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Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate | CAS No. 7421-40-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Water Solubility

Flash Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

pKa

Complexity

Safety Information

GHS Hazard Pictograms

Hazard Statement

Toxicity

Synonyms & References

English

MDL Number

FAQ

What is Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1)?

What are the main uses of Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1)?

Is Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1) safe?

How should Disodium (3beta)-3-[(3-carboxylatopropanoyl)oxy]-11-oxoolean-12-en-30-oate (CAS: 7421-40-1) be stored?

Related Compounds

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