Chemical substance record

Mitoguazone

459-86-9C₅H₁₂N₈184.207 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A hydrazone obtained by formal condensation of the two carbonyl groups of methylglyoxal with the primary amino groups of two molecules of aminoguanidine. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	459-86-9	ChEBI ↗
Molecular formula	C₅H₁₂N₈	ChEBI ↗
Molar mass	184.207 g/mol	ChEBI ↗
Monoisotopic mass	184.11849 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:43996	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	184.20 g/mol	PubChem ↗
Exact mass	184.11849242 Da	PubChem ↗
Computed XLogP	-2.2	PubChem ↗
Topological polar surface area (Å²)	154	PubChem ↗
H-bond donors	4	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	3	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

mitoguazone

IUPAC name

2-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine

InChIKey

MXWHMTNPTTVWDM-NXOFHUPFSA-N

SMILES

CC(/C=N/NC(=N)N)=NNC(=N)N

InChI

InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+

Names & synonyms

mitoguazonamitoguazonum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

guanidinesChEBI parent class · 24436 ↗hydrazoneChEBI parent class · 38532 ↗

organic molecular entity

Roles recorded in ChEBI

antineoplastic agentapoptosis inducerEC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00542868 mol

Uses 184.207 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

N

Nitrogen · 8 atoms

60.83%

C

Carbon · 5 atoms

32.60%

H

Hydrogen · 12 atoms

6.57%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Evaluation of mitoguazone in patients with refractory chronic lymphocytic leukemia: a phase II study (P-H482) of the Eastern Cooperative Oncology Group. ↗Leukemia & lymphoma · 1999 Oct · PMID 10706462

Rapid and sensitive quantitation of the antiproliferative agent mitoguazone in small volumes of plasma by high-performance liquid chromatography with ultraviolet detection. ↗Journal of chromatography. B, Analytical technologies in the biomedical and life sciences · 2003 Aug 15 · PMID 12906902

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:43996

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 5351154 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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