Penethamate hydriodide

CAS Registry Number®

808-71-9
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CAS Name

Penethamate hydriodide

Molecular Formula

C22H31N3O4S.HI

Cite this Page

Penethamate hydriodide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=808-71-9 (retrieved 2024-06-30) (CAS RN: 808-71-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey=XWRCFDRXQPRCCO-FLQNVMKHSA-N

SMILES

C(OCCN(CC)CC)(=O)[C@@H]1N2[C@@]([C@H](NC(CC3=CC=CC=C3)=O)C2=O)(SC1(C)C)[H].I

Canonical SMILES

I.O=C(OCCN(CC)CC)C1N2C(=O)C(NC(=O)CC=3C=CC=CC3)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-, 2-(diethylamino)ethyl ester, hydriodide (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, 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-(2α,5α,6β)]-, 2-(diethylamino)ethyl ester, monohydriodide
  • Penicillin, 2-(diethylamino)ethyl ester, hydriodide
  • Penicillin G, 2-(diethylamino)ethyl ester, hydriodide

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