N',N'''-Bis(p-(methylamidino)phenyl)terephthalamidine tetrahydrochloride
Basic information
- CAS
2053-23-8- Standard SMILES
CN=C(N)c1ccc(N=C(N)c2ccc(C(N)=Nc3ccc(C(N)=NC)cc3)cc2)cc1.Cl.Cl.Cl.Cl- InChIKey
YBWWSEJGBHDPHA-UHFFFAOYSA-N- Molecular formula
- C24H30Cl4N8
- Average molar mass
- 572.4 g/mol
- Monoisotopic mass
- 570.134754
Overview
Amidino TIC is one of 800 terephthalanilides synthesized and tested preclinically in the late 1950's and early 1960's. Chosen in the 1990's for further clinical investigation by the NCI's Project for the Review of Old Drugs because of its structure and activity spectrum.
Names & identifiers
- Preferred name
- N',N'''-Bis(p-(methylamidino)phenyl)terephthalamidine tetrahydrochloride
- IUPAC
- 1-N',4-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide;tetrahydrochloride
Names & synonyms
HR 21662053-23-8N',N'''-Bis(p-(methylamidino)phenyl)terephthalamidine tetrahydrochloride16MIX5050IDTXSID70904763NSC-57155HR-2166RefChem:1090114DTXCID501333875Amidino TICSymetamine1,4-Benzenedicarboximidamide, N,N''-bis(4-(imino(methylamino)methyl)phenyl)-, tetrahydrochloride
Show more names
1,4-Benzenedicarboximidamide, N,N''-bis[4-[imino(methylamino)methyl]phenyl]-, tetrahydrochlorideNSC 57155UNII-16MIX5050ITerephthalamidine, N',N'''-bis(p-(methylamidino)phenyl)-, tetrahydrochlorideTerephthalamidine, N,N''-bis(p-(methylamidino)phenyl)-, tetrahydrochlorideTerephthalamidine, N,N''-bis(p-(N'-methylamidino)phenyl)-, tetrahydrochlorideSCHEMBL31237920Terephthalamidine, N,N''-bis(p-(methylamidino)phenyl)-
Database identifiers
- CAS
2053-23-8- PubChem CID
- 72985
- DTXSID
DTXSID70904763- UNII
- 16MIX5050I
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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