Deacetylcephalothin

CAS Registry Number®

5935-65-9

CAS Name

Deacetylcephalothin

Molecular Formula

C14H14N2O5S2

Molecular Mass

354.40

Cite this Page

Deacetylcephalothin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5935-65-9 (retrieved 2024-11-22) (CAS RN: 5935-65-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H14N2O5S2/c17-5-7-6-23-13-10(12(19)16(13)11(7)14(20)21)15-9(18)4-8-2-1-3-22-8/h1-3,10,13,17H,4-6H2,(H,15,18)(H,20,21)/t10-,13-/m1/s1

InChIKey

InChIKey=HTBAVMIGXROYPQ-ZWNOBZJWSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CC3=CC=CS3)=O)C2=O)(SCC1CO)[H]

Canonical SMILES

O=C(O)C1=C(CO)CSC2N1C(=O)C2NC(=O)CC=3SC=CC3

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[2-(2-thienyl)acetamido]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-, (6R-trans)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7R)-
  • (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration