Benzylpenicillin beta-diethylaminoethyl ester

2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Also Known As: Penethamate|Ephicillin|Penethamate [BAN]|Penethamate hydroiodide|Diethylaminoethanol-benzylpenicillin|PENETHAMATE [WHO-DD]|Penicillin G diethylaminoethyl ester|Penicillin G, 2-(diethylamino)ethyl ester|Benzylpenicillin beta-diethylaminoethyl ester|4-27-00-05876 (Beilstein Handbook Reference)|Benzylpenicillinic acid, compd. with diethylaminoethanol|benzylpenicillin-diethylaminoethyl ester hydroiodide|Penicillin G, 2-(diethylamino)ethyl ester (6CI,7CI)|2-(Diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|(6alpha-[(Phenylacetyl)amino]penicillanic acid 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|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-, 2-(diethylamino)ethyl ester-|(2S,5beta)-3,3-Dimethyl-7-oxo-6alpha-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2beta-carboxylic acid 2-(diethylamino)ethyl ester|(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide|2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|2-diethylaminoethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-, 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|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2.alpha.,5.alpha.,6.beta.)]-, 2-(diethylamino)ethyl ester

Molecular Formula	C22H31N3O4S
Molecular Weight	433.20352 g/mol
LogP	1.66
Topological Polar Surface Area	78.95 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	433.20352
Heavy Atoms	30
Complexity	781.8

Chemical Identifiers

CAS Number	3689-73-4
SMILES	CCN(CC)CCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C