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Substance Name: Penethamate hydriodide
RN: 808-71-9
UNII: GA14AS9QOK
InChIKey: XWRCFDRXQPRCCO-FLQNVMKHSA-N

Molecular Formula

  • C22-H31-N3-O4-S.H-I

Molecular Weight

  • 561.478
 
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Names and Synonyms

Name of Substance

  • Penethamate hydriodide

Synonyms

  • Alivin
  • Benzylpenicillin beta-diethylaminoethyl ester hydriodide
  • beta-Diethylaminoethyl benzylpenicillinate hydriodide
  • Bronchocillin
  • Bronchopen
  • Broncopen
  • Deripen
  • Diethylaminoethyl ester penicillin hydriodide
  • Eficillin
  • EINECS 212-367-6
  • Ephicillin hydriodide
  • Estopen
  • Leocillin
  • Neo-Penil
  • Neopenil
  • Penethacillin
  • Penethamate hydriodide
  • Penicillin G diethylaminoethyl ester hydriodide
  • Penicillin G, 2-(diethylamino)ethyl ester, hydriodide
  • Penicillin, 2-(diethylamino)ethyl ester, hydriodide
  • Pulmaxil N
  • Pulmo 500
  • UNII-GA14AS9QOK

Systematic Names

  • 2-Diethylaminoethyl (6R)-6-(2-phenylacetamido)penicillanate hydriodide
  • 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, monohydriodide
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S,5R,6R)-, 2-(diethylamino)ethyl ester, monohydriodide
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 2-(diethylamino)ethyl ester, monohydriodide
  • Diethyl(2-(6-(2-phenylacetamido)penicillanoyloxy)ethyl)ammonium iodide

Registry Numbers

CAS Registry Number

  • 808-71-9

FDA UNII

  • GA14AS9QOK

Related Registry Number

  • 3689-73-4 (Parent)

System Generated Number

  • 0000808719

Molecular Formulas

Molecular Formula

  • C22-H31-N3-O4-S.H-I

Molecular Formula Fragments

  • C22-H31-N3-O4-S
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C22H31N3O4S.HI/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15;/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26);1H/t17-,18+,20-;/m1./s1

InChIKey

XWRCFDRXQPRCCO-FLQNVMKHSA-N

Smiles

C1([C@H](NC(=O)Cc2ccccc2)[C@H]2SC(C)(C)[C@@H](N12)C(OCCN(CC)CC)=O)=O.I

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 178.5 deg C   EXP
log P (octanol-water) 0.250 (none)   EST
Water Solubility 9600 mg/L 20 EXP
Atmospheric OH Rate Constant 9.67E-11 cm3/molecule-sec 25 EST

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