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5-carboxybupranolol

5-carboxybupranolol structure

CAS No:
42242-69-3
Formula:
C14H20ClNO4
Chemical Name:
5-carboxybupranolol
Synonyms:
1-tert-butylamino-3-(2-chloro-5-carboxyphenoxy)propan-2-ol;5-carboxybupranolol;3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid;DTXSID40962395;1-tert-Butylamino-3-(2-chloro-5-carboxyphenoxy)-2-propanol;Benzoic acid, 4-chloro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-
Categories:
Organic Chemistry > Amides

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5-carboxybupranolol Basic Attributes

Molecular Weight：

301.7659

Exact Mass：

301.108

Characteristics

PSA：

78.8

XLogP3：

-0.3

Density：

1.238g/cm3

Boiling Point：

484.3ºC at 760mmHg

Flash Point：

246.7ºC

Refractive Index：

1.549

Drug Information

MeSH Entry Terms：

1-tert-butylamino-3-(2-chloro-5-carboxyphenoxy)propan-2-ol

5-carboxybupranolol Use and Manufacturing

1-tert-Butylamino-3-(2-chloro-5-carboxyphenoxy)-2-propanol is an impurity of Bupranolol (B689652), an antagonist at the cardiostimulatory low-affinity state of b(1)-adrenoceptors and is known to treat hypertension and tachycardia.

Computed Properties

Molecular Weight:301.76
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:301.1080858
Monoisotopic Mass:301.1080858
Topological Polar Surface Area:78.8
Heavy Atom Count:20
Complexity:319
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes