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Fenbenicillin

Fenbenicillin structure

CAS No:
1926-48-3
Formula:
C22H22N2O5S
Chemical Name:
Fenbenicillin
Synonyms:
Fenbenicillin;phenbenicillin;(6R)-6-[(α-Phenoxybenzyl)carbonylamino]penicillanic acid;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(phenoxy)-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(phenoxy)-2-phenyl-ethanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-7-keto-3,3-dimethyl-6-[[2-(phenoxy)-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Categories:
Active Pharmaceutical Ingredients > Antibiotics

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Description

Fenbenicillin is a dipeptide.

Fenbenicillin Basic Attributes

Molecular Weight：

426.491

Exact Mass：

426.12500

Characteristics

PSA：

121

XLogP3：

2.76720

Density：

1.41g/cm3

Boiling Point：

736.3ºC at 760mmHg

Flash Point：

399.1ºC

Refractive Index：

1.673

Vapor Pressure：

9.22E-23mmHg at 25°C

Drug Information

MeSH Entry Terms：

phenbenicillin

Computed Properties

Molecular Weight:426.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:426.12494298
Monoisotopic Mass:426.12494298
Topological Polar Surface Area:121
Heavy Atom Count:30
Complexity:687
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes