Methanesulfonanilide, 3'-methoxy-4'-(4-(alpha-D-1-O-methyl-glucopyranosid-2-ylcarbamoyl)-9-acridinylamino)-, hydrochloride
Basic information
- CAS
63178-55-2- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)N[C@H]3[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]3O)cccc12.Cl- InChIKey
XQBUBEDGLUMMNN-MSQOULTBSA-N- Molecular formula
- C29H33ClN4O9S
- Average molar mass
- 649.1 g/mol
- Monoisotopic mass
- 648.1656775
Names & identifiers
- Preferred name
- Methanesulfonanilide, 3'-methoxy-4'-(4-(alpha-D-1-O-methyl-glucopyranosid-2-ylcarbamoyl)-9-acridinylamino)-, hydrochloride
- IUPAC
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
Names & synonyms
63178-55-2Methanesulfonanilide, 3'-methoxy-4'-(4-(alpha-D-1-O-methyl-glucopyranosid-2-ylcarbamoyl)-9-acridinylamino)-, hydrochlorideDTXSID20212527RefChem:352285DTXCID50135018CHEMBL3277432Methyl 2-deoxy-2-{9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamido}-alpha-D-glucopyranoside--hydrogen chloride (1/1)
Database identifiers
- CAS
63178-55-2- PubChem CID
- 3047273
- DTXSID
DTXSID20212527- ChEMBL
CHEMBL3277432
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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