hetacillin (versapen) Report issue

Small molecule Approved FDA
ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

389.48

ALogP

1.41

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O
  • InChIKey: DXVUYOAEDJXBPY-NFFDBFGFSA-N
    InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201116   ChEMBL
hetacillin *

CHEMBL1201121   ChEMBL
hetacillin potassium

Hetacillin   Wikipedia

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