5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-, (6R,7R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)

CAS Registry Number®

97468-37-6

CAS Name

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-, (6R,7R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)

Molecular Formula

C17H17N3O6S2.1/2C16H20N2

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-, (6R,7R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97468-37-6 (retrieved 2024-11-22) (CAS RN: 97468-37-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H17N3O6S2.C16H20N2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2/t13-,16-;/m1./s1

InChIKey

InChIKey=JZLUDZCHWAMNDD-OALZAMAHSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CSC=3C=CN=CC3)=O)C2=O)(SCC1COC(C)=O)[H].C(NCCNCC1=CC=CC=C1)C2=CC=CC=C2

Canonical SMILES

O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CSC=3C=CN=CC3.C=1C=CC(=CC1)CNCCNCC=2C=CC=CC2

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-, (6R,7R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6R-trans)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6R,7R)-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
  • 1,2-Ethanediamine, N,N′-bis(phenylmethyl)-, bis[(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate]
  • Cephapirin benzathine

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