Penicillin G

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Systematic / IUPAC Name: (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ID: Reference2743

Other Names: Ayercillin;
Benzopenicillin;
Cillora;
Cilloral;
Cilopen ; more

Formula: C16H18N2O4S

Class: Therapeutics/Prescription Drugs Natural Products/Medicines Endogenous Metabolites

Spectral Data

Penicillin G mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 41
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2016 8:54:11 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
InChI Key JGSARLDLIJGVTE-MBNYWOFBSA-N
Canonical SMILES CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
CAS 61336
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Other Names Ayercillin;
Benzopenicillin;
Cillora;
Cilloral;
Cilopen;
Compocillin G;
Cosmopen;
Crysticillin 300 A S;
Dropcillin;
Galofak;
Gelacillin;
Liquacillin;
Penicillin;
Pentids;
Pfizerpen;
Pfizerpen G;
Pharmacillin;
Pradupen;
Specilline G;
Ursopen;
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
(5R,6R)-Benzylpenicillin;
(Phenylmethyl)penicillin;
(Phenylmethyl)penicillinic acid;
2,2-Dimethyl-6β-(phenylacetamido)penam-3α-carboxylic acid;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, (2S,5R,6R)-;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2α,5α,6β)]-;
6-(2-Phenylacetamido)penicillanic acid;
Benzyl-6-aminopenicillinic acid;
Benzylpenicillin;
Benzylpenicillin G;
Benzylpenicilline;
Benzylpenicillinic acid;
Benzylpenicillinum;
Penicillin, (phenylmethyl)-;
Penicillinic acid, (phenylmethyl)-;
Penicillinic acid, benzyl-;
Phenylacetamidopenicillanic acid

In Other Databases

PubChem 5904
ChemIDPlus 000061336; 000069578; 001538096; 007177459; 000751848; 007009883; 008025067; 001538110; 007177437; 007179524
HMDb HMDB15186
KEGG C05551; D01053; D02336
DrugBank DB01053
ChEBI CHEBI:18208
Wikipedia Benzylpenicillin
ChemSpider 5693