Return to Results

Dicloxacillin

CAS Registry Number®

3116-76-5

CAS Name

Dicloxacillin

Molecular Formula

C19H17Cl2N3O5S

Molecular Mass

470.33

Cite this Page

Dicloxacillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3116-76-5 (retrieved 2024-11-22) (CAS RN: 3116-76-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1

InChIKey

InChIKey=YFAGHNZHGGCZAX-JKIFEVAISA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C=3C(=NOC3C)C4=C(Cl)C=CC=C4Cl)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C=3C(=NOC3C)C=4C(Cl)=CC=CC4Cl)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-
  • (2S,5R,6R)-6-[[[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • BRL 1702

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration