2,2'-((9-((3-(Dimethylamino)propyl)amino)-1-nitro-4-acridinyl)imino)bisethanol
Basic information
- CAS
107210-40-2- Standard SMILES
CN(C)CCCNc1c2ccccc2nc2c(N(CCO)CCO)ccc([N+](=O)[O-])c12- InChIKey
SELDPLZGOLEBMS-UHFFFAOYSA-N- Molecular formula
- C22H29N5O4
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.22195442
Names & identifiers
- Preferred name
- 2,2'-((9-((3-(Dimethylamino)propyl)amino)-1-nitro-4-acridinyl)imino)bisethanol
- IUPAC
- 2-[[9-[3-(dimethylamino)propylamino]-1-nitroacridin-4-yl]-(2-hydroxyethyl)amino]ethanol
Names & synonyms
4-Bis(2-hydroxyethyl)aminonitracrineMQH3UW9H9L107210-40-22,2'-((9-((3-(Dimethylamino)propyl)amino)-1-nitro-4-acridinyl)imino)bisethanolEthanol, 2,2'-((9-((3-(dimethylamino)propyl)amino)-1-nitro-4-acridinyl)imino)bis-CCRIS 3393BRN 5172390UNII-MQH3UW9H9LCHEMBL421212DTXSID901479582,2'-[(9-{[3-(Dimethylamino)propyl]amino}-1-nitroacridin-4-yl)azanediyl]di(ethan-1-ol)2,2'-[[9-[[3-(DIMETHYLAMINO)PROPYL]AMINO]-1-NITRO-4-ACRIDINYL]IMINO]BIS-ETHANOL
Database identifiers
- CAS
107210-40-2- PubChem CID
- 135692
- DTXSID
DTXSID90147958- ChEMBL
CHEMBL421212- UNII
- MQH3UW9H9L
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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