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Substance Name: Penamecillin [USAN:INN:BAN]
RN: 983-85-7
UNII: H0P1YE5581
InChIKey: NLOOMWLTUVBWAW-HLLBOEOZSA-N

Classification Code

  • Antibacterial

Molecular Formula

  • C19-H22-N2-O6-S

Molecular Weight

  • 406.4568
 
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Names and Synonyms

Name of Substance

  • Penamecillin
  • Penamecillin [USAN:INN:BAN]

Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S-(2alpha,5alpha,6beta))-, (acetyloxy)methyl ester
  • Acetoxymethyl benzylpenicillanate
  • Benzylpenicillin acetoxymethyl ester
  • EINECS 213-571-8
  • Hydroxymethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, acetate (ester)
  • Penamecilina
  • Penamecilina [INN-Spanish]
  • Penamecillin
  • Penamecillina
  • Penamecillina [DCIT]
  • Penamecilline
  • Penamecilline [INN-French]
  • Penamecillinum
  • Penamecillinum [INN-Latin]
  • Penicillin G, hydroxymethyl ester, acetate
  • UNII-H0P1YE5581
  • WY 20,788
  • WY-20,788

Systematic Names

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S-(2alpha,5alpha,6beta))-, (acetyloxy)methyl ester
  • Penamecillin

Registry Numbers

CAS Registry Number

  • 983-85-7

FDA UNII

  • H0P1YE5581

System Generated Number

  • 0000983857

Structure Descriptors

InChI

1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1

InChIKey

NLOOMWLTUVBWAW-HLLBOEOZSA-N

Smiles

CC(=O)OCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)Cc3ccccc3)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 107 deg C   EXP
log P (octanol-water) 0.620 (none)   EST
Atmospheric OH Rate Constant 6.89E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.