Quinacillin

CAS Registry Number®

1596-63-0

CAS Name

Quinacillin

Molecular Formula

C18H16N4O6S

Molecular Mass

416.41

Cite this Page

Quinacillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1596-63-0 (retrieved 2024-11-21) (CAS RN: 1596-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-137 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H16N4O6S/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1

InChIKey

InChIKey=GPMSLJIYNWBYEL-TYNCELHUSA-N

SMILES

N(C(=O)C=1C(C(O)=O)=NC2=C(N1)C=CC=C2)[C@H]3[C@@]4(N(C3=O)[C@@H](C(O)=O)C(C)(C)S4)[H]

Canonical SMILES

O=C(O)C1=NC=2C=CC=CC2N=C1C(=O)NC3C(=O)N4C3SC(C)(C)C4C(=O)O

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(3-carboxy-2-quinoxalinyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(3-carboxy-2-quinoxalinecarboxamido)-3,3-dimethyl-7-oxo-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(3-carboxy-2-quinoxalinyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-
  • (2S,5R,6R)-6-[[(3-Carboxy-2-quinoxalinyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6-(3-Carboxy-2-quinoxalinecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration