Benzylpenicillin β-diethylaminoethyl ester

CAS Registry Number®

3689-73-4

CAS Name

Benzylpenicillin β-diethylaminoethyl ester

Molecular Formula

C22H31N3O4S

Molecular Mass

433.56

Cite this Page

Benzylpenicillin β-diethylaminoethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3689-73-4 (retrieved 2024-09-28) (CAS RN: 3689-73-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H31N3O4S/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)/t17-,18+,20-/m1/s1

InChIKey

InChIKey=AFKRZUUZFWTBCC-WSTZPKSXSA-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]

Canonical SMILES

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

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Deleted or Replaced CAS Registry Numbers

10485-40-2

CAS INSIGHTSTM
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