3-Azidoamsacrine
Basic information
- CAS
80266-02-0- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(N=[N+]=[N-])ccc12- InChIKey
JAHUHVVHFLBQSP-UHFFFAOYSA-N- Molecular formula
- C21H18N6O3S
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.11610963
Overview
RN given refers to the HCl
Names & identifiers
- Preferred name
- 3-Azidoamsacrine
- IUPAC
- N-[4-[(3-azidoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Names & synonyms
3-Azidoamsacrine92I2PDE00BN-(4-((3-Azido-9-acridinyl)amino)-3-methoxyphenyl)methanesulfonamideDTXSID40154894RefChem:93031DTXCID7077385125783-39-33-azido-AMSA80266-02-0Methanesulfonamide, N-(4-((3-azido-9-acridinyl)amino)-3-methoxyphenyl)-CCRIS 6381UNII-92I2PDE00B
Show more names
CHEMBL108666DTXSID60230200N-{4-[(3-AZIDOACRIDIN-9-YL)AMINO]-3-METHOXYPHENYL}METHANESULFONAMIDEQ27896131
Database identifiers
- CAS
80266-02-0- PubChem CID
- 3035992
- DTXSID
DTXSID60230200- ChEMBL
CHEMBL108666- UNII
- 92I2PDE00B
- Nikkaji
- J292.777B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 768
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Related reactions
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Compound notes
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