Cefadrox

C₁₆H₁₇N₃O₅S — CID 6560167

About Cefadrox

Cefadrox (PubChem CID 6560167) has the molecular formula C₁₆H₁₇N₃O₅S and a molecular weight of 363.40 g/mol. Its IUPAC name is (6R,7R)-7-[[(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: Cefadrox
• PubChem CID: 6560167
• Molecular Formula: C₁₆H₁₇N₃O₅S
• Molecular Weight: 363.40 g/mol
• Exact Mass: 363.09
• IUPAC Name: (6R,7R)-7-[[(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• SMILES: CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1
• InChI: InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
• InChIKey: BOEGTKLJZSQCCD-UEKVPHQBSA-N
• XLogP: -1.90
• TPSA: 137.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.40
LogP ≤ 5	-1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Cefadrox?

The IUPAC name of Cefadrox (CID 6560167) is (6R,7R)-7-[[(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the SMILES notation for Cefadrox?

The canonical SMILES for Cefadrox is CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1.

What is the InChIKey of Cefadrox?

The InChIKey is BOEGTKLJZSQCCD-UEKVPHQBSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1.

What are the key properties of Cefadrox?

Cefadrox has a molecular weight of 363.40 g/mol, XLogP of -1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Cefadrox is sourced from PubChem (CID 6560167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6560167 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 526 — approved-drug record (CC BY-SA 4.0)

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