Basic information
- CAS
17070-44-9- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1- InChIKey
OAPNFEMIOBGOHM-UHFFFAOYSA-N- Molecular formula
- C19H21Cl2N3O
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.1061677
Overview
Acridine half-mustard is a member of the class of aminoacridines that is acridine which is substituted by a methoxy group at position 2, chlorine at position 6, and a {3-[(2-chloroethyl)amino]propyl}amino group at position 9. It has a role as a mutagen. It is an aromatic ether, an organochlorine compound, a secondary amino compound and a member of aminoacridines. It is a conjugate base of an acridine half-mustard(2+).
Names & identifiers
- Preferred name
- N1-(2-Chloroethyl)-N3-(6-chloro-2-methoxy-9-acridinyl)-1,3-propanediamine
- IUPAC
- N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine
- English name
- acridine half-mustard
- Molecular formula
- C19H21Cl2N3O
- Molecular weight
- 378.3
Names & synonyms
Acridine half-mustard17070-44-996O8D10RM2ICR-191 FREE BASECHEBI:132980Acridine, 6-chloro-9-((3-((2-chloroethyl)amino)propyl)amino)-2-methoxy-1,3-Propanediamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-(2-Chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-1,3-propanediamineRefChem:831363N1-(2-Chloroethyl)-N3-(6-chloro-2-methoxy-9-acridinyl)-1,3-propanediamineN-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamineBRN 0444928
Show more names
N-(2-Chloroethyl)-N'-(2-methoxy-6-chloro-9-acridinyl)-1,3-propanediamine1,3-Propanediamine, N1-(2-chloroethyl)-N3-(6-chloro-2-methoxy-9-acridinyl)-
UNII-96O8D10RM2SCHEMBL6403098CHEMBL1088472SCHEMBL29407194SCHEMBL30133044DTXSID10864731Q272719162-chloro-6-methoxy-9-(3-(2-chloroethyl)aminopropylamino)acridine
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biochemical Research
Physicochemical properties
- FDA UNII
- 96 O8D10RM2 · 96O8D10RM2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Acridine and Acridine orange. See Nitrogen mustard (HN-2).
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Additional notes
DefinitionChEBI: A member of the class of aminoacridines that is acridine which is substituted by a methoxy group at position 2, chlorine at position 6, and a {3-[(2-chloroethyl)amino]propyl}amino group at position 9.
Related reactions
0 records
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Compound notes
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