Basic information
- CAS
66724-96-7- Standard SMILES
CS(=O)(=O)Nc1ccc(OCCCCOc2ccc(NS(C)(=O)=O)cc2[NH2+]c2c3ccccc3nc3c(C(N)=O)cccc23)c([NH2+]c2c3ccccc3nc3c(C(N)=O)cccc23)c1.[Cl-].[Cl-]- InChIKey
GBWUHYSWSKBKDW-UHFFFAOYSA-N- Molecular formula
- C46H44Cl2N8O8S2
- Average molar mass
- 971.9 g/mol
- Monoisotopic mass
- 970.2100581
Names & identifiers
- Preferred name
- 4-Acridinecarboxamide, 9,9'-tetramethylenedioxybis(4-methylsulfonamido-o-phenyleneimino)bis-, dihydrochloride, dihydrate
- IUPAC
- (4-carbamoylacridin-9-yl)-[2-[4-[2-[(4-carbamoylacridin-9-yl)azaniumyl]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]azanium dichloride
Names & synonyms
66724-96-74-Acridinecarboxamide, 9,9'-tetramethylenedioxybis(4-methylsulfonamido-o-phenyleneimino)bis-, dihydrochloride, dihydrate
Database identifiers
- CAS
66724-96-7- PubChem CID
- 48003
Properties
Computed structural properties
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 17
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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