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Bometolol

Bometolol structure

CAS No:
65008-93-7
Formula:
C25H32N2O7
Chemical Name:
Bometolol
Synonyms:
Bometolol;5-[3-[(3,4-Dimethoxyphenethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-8-(2-oxopropoxy)-2(1H)-quinolinone;5-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]-3,4-dihydro-8-(2-oxopropoxy)quinolin-2(1H)-one;8-Acetonyloxy-5-[3-(3,4-dimethoxyphenethylamino)-2-hydroxypropoxy]-3,4-dihydro-2(1H)-quinolinone;OPC-1427
Categories:
Organic Chemistry > Amides

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Bometolol Basic Attributes

Molecular Weight：

472.538

Exact Mass：

472.22100

Characteristics

PSA：

115

XLogP3：

2.65720

Density：

1.216g/cm3

Boiling Point：

724.6ºC at 760 mmHg

Flash Point：

392ºC

Refractive Index：

1.562

Drug Information

MeSH Entry Terms：

8-acetonyloxy-5-(3-(2-(3,4-dimethoxyphenyl)ethylamino)-2-hydroxypropoxy)-3,4-dihydrocarbostyril

Computed Properties

Molecular Weight:472.5
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:472.22095136
Monoisotopic Mass:472.22095136
Topological Polar Surface Area:115
Heavy Atom Count:34
Complexity:649
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes