Basic information
- CAS
118201-50-6- Standard SMILES
NCCCN=c1ccc2c3c1c(O)c1c(O)ccc(=O)c1c3[nH]n2CC[NH2+]CCO.[Cl-]- InChIKey
AWVHFDOHKFRHKQ-UHFFFAOYSA-N- Molecular formula
- C21H26ClN5O4
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.167332
Names & identifiers
- Preferred name
- Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-, hydrochloride
- IUPAC
- 2-[10-(3-aminopropylimino)-6,8-dihydroxy-3-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-14-yl]ethyl-(2-hydroxyethyl)azanium chloride
Names & synonyms
118201-50-62-[10-(3-Aminopropylimino)-6,8-dihydroxy-3-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-14-yl]ethyl-(2-hydroxyethyl)azanium;chlorideNSC 349174Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-, monohydrochlorideAnthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-, hydrochlorideCI 942
Database identifiers
- CAS
118201-50-6- PubChem CID
- 60682
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 997
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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