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Benzylpenicillin β-diethylaminoethyl ester

Benzylpenicillin β-diethylaminoethyl ester structure

CAS No:
3689-73-4
Formula:
C22H31N3O4S
Chemical Name:
Benzylpenicillin β-diethylaminoethyl ester
Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-,2-(diethylamino)ethyl ester;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,2-(diethylamino)ethyl ester;Penicillin G,2-(diethylamino)ethyl ester;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-,2-(diethylamino)ethyl ester;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,2-(diethylamino)ethyl ester;Benzylpenicillin β-diethylaminoethyl ester;Penethamate;Penicillin G diethylaminoethyl ester;Ephicillin;10485-40-2

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Benzylpenicillin β-diethylaminoethyl ester Basic Attributes

Molecular Weight：

433.567

Exact Mass：

433.56

UNII：

7Y8RF01X2J

DSSTox ID：

DTXSID20190371

Characteristics

PSA：

104

XLogP3：

1.99000

Density：

1.24g/cm3

Boiling Point：

644.1ºC at 760mmHg

Flash Point：

343.3ºC

Refractive Index：

1.596

Drug Information

MeSH Entry Terms：

benzylpenicillin-diethylaminoethyl ester hydroiodide

Computed Properties

Molecular Weight:433.6
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:433.20352765
Monoisotopic Mass:433.20352765
Topological Polar Surface Area:104
Heavy Atom Count:30
Complexity:646
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzylpenicillin β-diethylaminoethyl ester

Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

Benzylpenicillin β-diethylaminoethyl ester

SDS

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