Acridine, 6-chloro-9-((3-((2-chloroethyl)thio)propyl)amino)-2-methoxy-, hydrochloride
Basic information
- CAS
99711-15-6- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c([NH2+]CCCSCCCl)c2c1.[Cl-]- InChIKey
JJGQCMTUYCANDB-UHFFFAOYSA-N- Molecular formula
- C19H21Cl3N2OS
- Average molar mass
- 431.8 g/mol
- Monoisotopic mass
- 430.044018
Names & identifiers
- Preferred name
- Acridine, 6-chloro-9-((3-((2-chloroethyl)thio)propyl)amino)-2-methoxy-, hydrochloride
- IUPAC
- 3-(2-chloroethylsulfanyl)propyl-(6-chloro-2-methoxyacridin-9-yl)azanium chloride
Names & synonyms
2-Methoxy-6-chloro-9-(3-(2-chloroethyl)mercaptopropylamino)acridine hydrochloride6-Chloro-9-(3-(2-chloroethyl)mercaptopropylamino)-2-methoxyacridine hydrochlorideAcridine, 6-chloro-9-((3-((2-chloroethyl)thio)propyl)amino)-2-methoxy-, hydrochloride99711-15-6RefChem:317093
Database identifiers
- CAS
99711-15-6- PubChem CID
- 57534
Properties
Computed structural properties
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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