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Molecule record

(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C19H17Cl2N3O5S

470.33 g/mol

Loading structure

Molecular properties

Formula
C19H17Cl2N3O5S
Molar mass
470.33 g·mol−1
Exact mass
469.0266 Da
12
PubChem CID
18381

Functional groups

Alkane / alkyl carbon
Amide
Aromatic ring
Aryl halide
Carboxylic acid
Secondary amine
Sulfide
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 221-488-3
  • 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylpenicillin
  • 3116-76-5
  • BRL-1702
  • CHEBI:4511
  • COF19H7WBK
  • DTXCID202924
  • DTXSID1022924
Show all 24 synonyms
  • Dichloroxacillin
  • Dicloxaciclin
  • Dicloxacilin
  • Dicloxacilina
  • Dicloxacillin, Monosodium Salt, Mono-Hydrate
  • Dicloxacillina
  • Dicloxacilline
  • Dicloxacillinum
  • Dicloxacycline
  • J01CF01
  • Maclicine
  • Methyldichlorophenylisoxazolylpenicillin
  • R-13423
  • RefChem:55010
  • Sodium, Dicloxacillin
  • dicloxacillin

Structure identifiers

Canonical SMILES
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
Isomeric SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
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
YFAGHNZHGGCZAX-JKIFEVAISA-N
PubChem CID
18381

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record