Basic information
- CAS
55435-65-9- Standard SMILES
CC(=O)N(C)c1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1.Cl- InChIKey
SOCGJDYHNGLZEC-UHFFFAOYSA-N- Molecular formula
- C20H20ClN5O
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.135638
Overview
Acodazole Hydrochloride is the hydrochloride salt of acodazole, a synthetic imidazoquinoline with antineoplastic activity. Acodazole intercalates into DNA, resulting in disruption of DNA replication. Use of this agent has been associated with significant cardiotoxicity.
Names & identifiers
- Preferred name
- Acodazole Hydrochloride
- IUPAC
- N-methyl-N-[4-[(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]acetamide;hydrochloride
- English name
- Acodazole
- Molecular formula
- C20H20ClN5O
- Molecular weight
- 381.8587
Names & synonyms
ACODAZOLE HYDROCHLORIDE55435-65-9Acodazole HClAcodazole hydrochloride [USAN]EU 3120NSC 305884NSC-305884EU-31206D7W9EAH22Acetamide, N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)-, monohydrochlorideN-Methyl-4'-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)acetanilide monohydrochlorideN-Methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)acetamide HCl
Show more names
AcodazoleAcetamide, N-methyl-N-[4-[(7-methyl-1H-imidazo[4,5-F]quinolin-9-yl)amino]phenyl]-, monohydrochloride
Acodazole hydrochloride (USAN)DTXSID40204000ACODAZOLE HYDROCHLORIDE [WHO-DD]NSC305884N-METHYL-4'-((7-METHYL-1H-IMIDAZO(4,5-F)QUINOLIN-9-YL)AMINO)PHENYL)ACETANILIDE MONOHYDROCHLORIDERefChem:552685DTXCID00126491Acetamide, N-methyl-N-(4-((7-methyl-1H-imidazo(4, 5-f)quinolin-9-yl)amino)phenyl)-, monohydrochloride
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 819
Experimental & physicochemical properties
Solubility
H > 50 (mg/mL)
pH 4 Acetate buffer > 50 (mg/mL)
pH 9 Carbonate buffer > 50 (mg/mL)
10% Ethanol > 50 (mg/mL)
Methanol 10 - 12 (mg/mL)
95% Ethanol 10 - 15 (mg/mL)
Stability/Shelf Life
Bulk: The bulk compound did not undergo significant decomposition when heated at 60 °C for 30 days in the dark (HPLC). The compound is quite hygroscopic. Solution: A solution (0.1 mg/mL) prepared in unbuffered water and stored at room temperature and exposed to light was stable for > 48 hours (HPLC).
Physicochemical properties
- Melting point
- 315 · 315-317 °C
- FDA UNII
- 6 D7W9EAH22 · 6D7W9EAH22
- NCI Drug Dictionary
- acodazole
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity Data
Mouse(ip): LD50: 161 mg/kg
Mouse(iv): LD50: 87,590 ug/kg
Chemistry & industry
Applications
UsesAntineoplastic.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…