Basic information
- CAS
75413-56-8- Standard SMILES
COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1- InChIKey
NHUWXMNVGMRODJ-UHFFFAOYSA-P- Molecular formula
- C46H50N6O2+2
- Average molar mass
- 718.9 g/mol
- Monoisotopic mass
- 718.39952486
Overview
structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Ditercalinium
- IUPAC
- 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium
- English name
- ditercalinium
- Molecular formula
- C46H50N6O2+2
- Molecular weight
- 718.94
Names & synonyms
ditercaliniumDitercalinium ionDitercalinium cationVFS4ZUK33P82765-18-2NSC 335153NSC 3662412,2'-((4,4'-BIPIPERIDINE)-1,1'-DIYLDIETHYLENE)BIS(10-METHOXY-7H-PYRIDO(4,3-C)CARBAZOLIUM)RefChem:135175DitercalinioDitercalinio [Spanish]NSC335153
Show more names
UNII-VFS4ZUK33P2,2'-(4,4'-bipiperidine-1,1'-diyldiethane-2,1-diyl)bis(10-methoxy-7h-pyrido[4,3-c]carbazol-2-ium)Neuro_0002072,2'-((4,4'-Bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-methoxy-7H-pyrido(4,3-c)carbazolium)CHEMBL11821657H-Pyrido(4,3-c)carbazolium, 2,2'-((4,4'-bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-methoxy-Q2729181210-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]-4-piperidyl]-1-piperidyl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium
Database identifiers
- CAS
75413-56-8、82765-18-2- PubChem CID
- 3119
- ChEMBL
CHEMBL1182165- UNII
- VFS4ZUK33P
- Nikkaji
- J389.314F
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 54
- Formal charge
- 2
- Complexity
- 1,130
Physicochemical properties
- FDA UNII
- 4 ZUK33P · VFS4ZUK33P
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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