Benethamine penicillin

CAS Registry Number®

751-84-8

CAS Name

Benethamine penicillin

Molecular Formula

C16H18N2O4S.C15H17N

Cite this Page

Benethamine penicillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=751-84-8 (retrieved 2024-11-23) (CAS RN: 751-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C16H18N2O4S.C15H17N/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;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1

InChIKey

InChIKey=JAQPGQYDZJZOIN-LQDWTQKMSA-N

SMILES

C(CNCC1=CC=CC=C1)C2=CC=CC=C2.C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CC3=CC=CC=C3)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)CC=3C=CC=CC3)C2SC1(C)C.C=1C=CC(=CC1)CNCCC=2C=CC=CC2

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)-, compd. with N-(phenylmethyl)benzeneethanamine (1:1)
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-, compd. with N-(phenylmethyl)benzeneethanamine (1:1)
  • Penicillin G, N-benzylphenethylamine salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with N-(phenylmethyl)benzeneethanamine (1:1)
  • Phenethylamine, N-benzyl-, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

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