Pyrrolidinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, iodide (1:1)

CAS Registry Number®

111390-01-3
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CAS Name

Pyrrolidinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, iodide (1:1)

Molecular Formula

C13H20N3O3S.I

Cite this Page

Pyrrolidinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, iodide (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111390-01-3 (retrieved 2024-05-17) (CAS RN: 111390-01-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H19N3O3S.HI/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19;/h9,12H,2-7,14H2,1H3;1H/t9-,12-;/m1./s1

InChIKey

InChIKey=CVMHNMCJLANAAH-WYUVZMMLSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](N)C2=O)(SCC1C[N+]3(C)CCCC3)[H].[I-]

Canonical SMILES

[I-].O=C(O)C1=C(CSC2N1C(=O)C2N)C[N+]3(C)CCCC3

Other Names for this Substance

  • Pyrrolidinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, iodide (1:1)
  • Pyrrolidinium, 1-[(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methyl-, iodide, (6R-trans)-
  • Pyrrolidinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, iodide

Deleted or Replaced CAS Registry Numbers

131990-95-9, 153975-78-1, 153975-77-0, 156807-41-9, 160888-41-5, 780810-22-2

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