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disodium,4-[[2-butyl-5-(carboxylatomethyl)-4-chloroimidazol-1-yl]methyl]benzoate

disodium,4-[[2-butyl-5-(carboxylatomethyl)-4-chloroimidazol-1-yl]methyl]benzoate structure

CAS No:
121280-51-1
Formula:
C17H17ClN2Na2O4
Chemical Name:
disodium,4-[[2-butyl-5-(carboxylatomethyl)-4-chloroimidazol-1-yl]methyl]benzoate
Synonyms:
2-n-Butyl-1-(4-carboxybenzyl)-4-chloroimidazole-5-acetic acid; disodium 4-[[2-butyl-4-chloro-5-(2-oxido-2-oxoethyl)imidazol-1-yl]methyl]benzoate; 1H-Imidazole-5-acetic acid,2-butyl-1-((4-carboxyphenyl)methyl)-4-chloro-,disodium salt; Exp6155;

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disodium,4-[[2-butyl-5-(carboxylatomethyl)-4-chloroimidazol-1-yl]methyl]benzoate Basic Attributes

Molecular Weight：

394.76000

Exact Mass：

394.0672233 g/mol

DSSTox ID：

DTXSID00153207

Characteristics

PSA：

98.08000

XLogP3：

0.58330

Boiling Point：

582.3ºC

Flash Point：

306ºC

Vapor Pressure：

2.1E-14mmHg at 25°C

Drug Information

MeSH Entry Terms：

2-n-butyl-1-(4-carboxybenzyl)-4-chloroimidazole-5-acetic acid

Computed Properties

Molecular Weight:394.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:394.0672233
Monoisotopic Mass:394.0672233
Topological Polar Surface Area:98.1
Heavy Atom Count:26
Complexity:429
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of disodium,4-[[2-butyl-5-(carboxylatomethyl)-4-chloroimidazol-1-yl]methyl]benzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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