chempirical

Penicillin G

C16H18N2O4SCAS 61-33-6334.39 g/mol

Open in Covalent MOL file
SNHOONOOH
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C16H18N2O4S
Molar mass
334.39 g/mol
Exact mass
334.0987 Da
Melting point
82–83 °C
logP
1.70Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
61-33-6
SMILES
CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O
InChIKey
JGSARLDLIJGVTE-MBNYWOFBSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

32 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-
  • 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-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Benzyl-6-aminopenicillinic acid
  • Benzylpenicillin
  • Liquacillin
  • Phenylacetamidopenicillanic acid
  • Benzylpenicillin G
  • Cilopen
  • Penicillinic acid, (phenylmethyl)-
  • Penicillin, (phenylmethyl)-
  • Specilline G
  • Benzylpenicillinic acid
  • Gelacillin
  • Pradupen
  • Dropcillin
  • Pharmacillin
  • Cilloral
  • Penicillin
  • (5R,6R)-Benzylpenicillin
  • Ursopen
  • Phenylacetyl-6-aminopenicillanic acid
  • Free penicillin G
  • Free penicillin II
  • Free benzylpenicillin
  • NSC 193396
  • Crysticillin 300 AS
  • (2S,5R,6R)-3,3-Dimethyl-6-(2-(phenylacetylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Allpen
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylic acid

Work with Penicillin G

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzathine penicillin1538-09-686 % similar Penicillin G procaine54-35-367 % similar Carbenicillin4697-36-366 % similar Benzylpenicillin procaine monohydrate6130-64-964 % similar Ampicillin69-53-464 % similar Ampicillin trihydrate7177-48-261 % similar Azlocillin37091-66-056 % similar Amoxicillin26787-78-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenazine ethosulfate10510-77-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook