Doxovir
Basic information
- CAS
158318-97-9- Standard SMILES
CC(/C=C(/C)[O-])=NCCN=C(C)/C=C(/C)[O-].Cc1ncc[nH]1.Cc1ncc[nH]1.[Br-].[Co+3]- InChIKey
PYKZINFEKIIUQO-ILGXWWKESA-K- Molecular formula
- C20H30BrCoN6O2
- Average molar mass
- 525.3 g/mol
- Monoisotopic mass
- 524.09456
Names & identifiers
- Preferred name
- Doxovir
- IUPAC
- cobalt(3+);bis(2-methyl-1H-imidazole);(Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate;bromide
- English name
- CTC 96
- Molecular formula
- C20H30BrCoN6O2
- Molecular weight
- 525.3284
Names & synonyms
Ctc-96158318-97-9Cobalt chelatesCtc 96DoxovirDoxovir (TM) (*Topical*)SCHEMBL29367865Cobalt(1+), [[4,4'-[1,2-ethanediyldi(nitrilo-.kappa.N)]bis[2-pentanonato-.kappa.O]](2-)]bis(2-methyl-1H-imidazole-.kappa.N3)-, bromide, (OC-6-33)-cobaltic; 2-methyl-1H-imidazole; (4E)-4-[2-[(E)-(1-methyl-3-oxo-butylidene)amino]ethylimino]pentan-2-one
Database identifiers
- CAS
158318-97-9- PubChem CID
- 5483091
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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