Cefatrizine

Name: Cefatrizine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₈N₆O₅S₂ — CID 6410758

💊View drug profile → cefatrizine

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SMILESN[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CS[C@H]12)c1ccc(O)cc1

InChIInChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1

InChIKeyUOCJDOLVGGIYIQ-PBFPGSCMSA-N

MW462.51 g/mol

LogP0.04

Rot. Bonds7

About Cefatrizine

Cefatrizine (PubChem CID 6410758) has the molecular formula C₁₈H₁₈N₆O₅S₂ and a molecular weight of 462.51 g/mol. Its IUPAC name is (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name	Cefatrizine
PubChem CID	6410758
Molecular Formula	C₁₈H₁₈N₆O₅S₂
Molecular Weight	462.51 g/mol
Exact Mass	462.08
IUPAC Name	(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES	N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CS[C@H]12)c1ccc(O)cc1
InChI	InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1
InChIKey	UOCJDOLVGGIYIQ-PBFPGSCMSA-N
XLogP	0.04
TPSA	174.53 Å²
H-Bond Donors	5
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Cefatrizine?

The IUPAC name of Cefatrizine (CID 6410758) is (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

What is the SMILES notation for Cefatrizine?

The canonical SMILES for Cefatrizine is N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CS[C@H]12)c1ccc(O)cc1.

What is the InChIKey of Cefatrizine?

The InChIKey is UOCJDOLVGGIYIQ-PBFPGSCMSA-N. The full InChI is InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1.

What are the key properties of Cefatrizine?

Cefatrizine has a molecular weight of 462.51 g/mol, XLogP of 0.04, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Cefatrizine is sourced from PubChem (CID 6410758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: C · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 6410758 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 529 — approved-drug record (CC BY-SA 4.0)

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