Penicillin g

  • Formula: C16H18N2O4S

  • Molecular weight: 334.40

  • Smiles: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

Download

Penicillin g

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Penicillin g

  • First synonym: Penicillin g

  • Synonyms: penicillin g, Benzylpenicillin, Benzylpenicillinic acid, Free penicillin II, Pfizerpen, Benzyl penicillin, Bencilpenicilina, Benzylpenicillinum, 61-33-6, Benzylpenicilline, Benzylpenicillin G, 6-(2-Phenylacetamido)penicillanic acid, Free penicillin G, Benzopenicillin, Dropcillin, Gelacillin, Liquacillin, Pharmacillin, Cilopen, Pradupen, Specilline G, Benzylpenicillin potassium, (5R,6R)-Benzylpenicillin, Penicillin, (phenylmethyl)-, Galofak, Free benzylpenicillin, Penicillin-G potassium, Compocillin G, bensylpenicillin, benzyl benicillin, Pfizerpen-AS, Penicillinic acid, (phenylmethyl)-, Phenylacetamidopenicillanic acid, Pencillin G, UNII-Q42T66VG0C, Cilloral, Cosmopen, PENICILLIN-2, CHEBI:18208, Benzyl-6-aminopenicillinic acid, Penicillinic acid, benzyl-, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (Phenylmethyl)penicillin, Q42T66VG0C, Ursopen, (Phenylmethyl)penicillinic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, (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, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, Cillora, PenicillinG, 61-33-6 (FREE ACID), Bencilpenicilina [Spanish], Benzylpenicilline [French], Benzylpenicillinum [Latin], Benzylpenicillin [INN:BAN], 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-, PNN, SMR000538912, HSDB 3166, EINECS 200-506-3, NSC 193396, BRN 0044740, NSC-193396, J01CE01, Penicillin,(S), 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, PENICILLIN-G, Spectrum_000933, Benzylpenicillin (INN), CHEMBL29, Prestwick0_001078, Prestwick1_001078, Prestwick2_001078, Prestwick3_001078, Spectrum2_000518, Spectrum3_000542, Spectrum4_000471, Spectrum5_001108, Epitope ID:114070, SCHEMBL3783, BSPBio_001096, BSPBio_002183, KBioGR_000942, KBioSS_001413, 4-27-00-05861 (Beilstein Handbook Reference), 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-, MLS000766897, MLS001032123, MLS001173382, DivK1c_000316, SPBio_000475, SPBio_002998, BPBio1_001206, GTPL4796, DTXSID5046934, KBio1_000316, KBio2_001413, KBio2_003981, KBio2_006549, KBio3_001683, NINDS_000316, HMS2875L09, ZINC3871701, BDBM50022787, Phenylacetyl-6-aminopenicillanic acid, AKOS005203091, DB01053, IDI1_000316, NCGC00159348-02, NCGC00159348-03, (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-[(PHENYLACETYL)AMINO]-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-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)-, SBI-0051476.P003, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-, Bicillin (*Benzathine Salt, Tetrahydrate*), C05551, D02336, (2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0], 061P336, Q258450, W-109262, BRD-K55191674-236-03-7, BRD-K55191674-237-02-7, BRD-K55191674-237-12-6, Benzylpenicillin, Antibiotic for Culture Media Use Only, 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid, (+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G), (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (Penicillin G), 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G), 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)- (8CI), 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, (2S,5R,6R)-

Identifiers / External links

  • CAS: 61-33-6

  • PubChem CID: 5904

  • ChemSpiderID: 10196

  • ChEMBL: CHEMBL29

  • US FDA (UNII): Q42T66VG0C

  • Wikidata (wiki): Q258450

  • Kyoto Encyclopedia of Genes and Genomes (KEGG) Compound: C05551

  • Kyoto Encyclopedia of Genes and Genomes (KEGG) DRUG: D02336

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:18208

  • CompTox Chemicals Dashboard (DTXSID): DTXSID5046934

  • Comparative Toxicogenomics Database (ctd): D010400

  • SCHEMBL: SCHEMBL3783

  • Developmental Therapeutics program NIH (NSC): 193396

  • Molecular recognition database (BindingDB): 50022787

  • Hazardous substance database (HSDB): 3166

  • TOX21 samples 1: NCGC00159348-02;NCGC00159348-03

Structure

  • Smiles: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

  • Isomeric smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

  • 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

  • Inchikey: JGSARLDLIJGVTE-MBNYWOFBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H18N2O4S

  • Molecular weight: 334.40

  • Monoisotopic mass: 334.09872823

Select an endpoint:

Select an endpoint:

Select an endpoint:

Select an endpoint: