Pyridinium, 4-[2-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, chloride, hydrochloride (1:1:1)

CAS Registry Number®

400827-64-7

CAS Name

Pyridinium, 4-[2-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, chloride, hydrochloride (1:1:1)

Molecular Formula

C16H15N4O3S3.ClH.Cl

Cite this Page

Pyridinium, 4-[2-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, chloride, hydrochloride (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=400827-64-7 (retrieved 2024-11-21) (CAS RN: 400827-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H14N4O3S3.2ClH/c1-19-4-2-8(3-5-19)9-6-25-16(18-9)26-10-7-24-14-11(17)13(21)20(14)12(10)15(22)23;;/h2-6,11,14H,7,17H2,1H3;2*1H/t11-,14-;;/m1../s1

InChIKey

InChIKey=SCEMEDZWEIWQPU-WGSPLUPMSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](N)C2=O)(SCC1SC3=NC(=CS3)C=4C=C[N+](C)=CC4)[H].[Cl-].Cl

Canonical SMILES

[Cl-].Cl.O=C(O)C1=C(SC2=NC(=CS2)C=3C=C[N+](=CC3)C)CSC4N1C(=O)C4N

Other Names for this Substance

  • Pyridinium, 4-[2-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, chloride, hydrochloride (1:1:1)
  • Pyridinium, 4-[2-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, chloride, monohydrochloride

CAS INSIGHTSTM
Targeted protein degrader structure, illustration