Basic information
- CAS
80832-46-8- Standard SMILES
CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(O)cc1- InChIKey
HRLJTTLFGPOMKO-UHFFFAOYSA-N- Molecular formula
- C27H23ClN4O
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.1560391
Overview
4-{[(3Z)-5-(4-chlorophenyl)-3-(isopropylimino)phenazin-2-yl]amino}phenol is a member of phenazines.
Names & identifiers
- Preferred name
- 3-(4-Hydroxyanilino)-10-(4-chlorophenyl)-2,10-dihydro-2-isopropyliminophenazine
- IUPAC
- 4-[[5-(4-chlorophenyl)-3-propan-2-yliminophenazin-2-yl]amino]phenol
- English name
- 3-(4-hydroxyanilino)-10-(4-chlorophenyl)-2,10-dihydro-2-isopropyliminophenazine
- Molecular formula
- C27H23ClN4O
- Molecular weight
- 454.95
Names & synonyms
80832-46-84-Deschloro-4-hydroxy ClofazimineXG49QHP7E7Hacdip3-(4-Hydroxyanilino)-10-(4-chlorophenyl)-2,10-dihydro-2-isopropyliminophenazinePhenol, 4-((5-(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-2-phenazinyl)amino)-UNII-XG49QHP7E7SCHEMBL3517461SCHEMBL3517462CHEBI:143414DTXSID001001548FDA83246
Show more names
Phenol, 4-[[5-(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-2-phenazinyl]amino]-
4-[[5-(4-chlorophenyl)-3-propan-2-yliminophenazin-2-yl]amino]phenol4-({5-(4-Chlorophenyl)-3-[(propan-2-yl)amino]-5,10-dihydrophenazin-2-yl}imino)cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
80832-46-8- PubChem CID
- 133545
- DTXSID
DTXSID001001548- ChEBI
CHEBI:143414
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 831
Physicochemical properties
- FDA UNII
- 49 QHP7E7 · XG49QHP7E7
Chemistry & industry
Applications
Uses4-Deschloro-4-hydroxy Clofazimine is a metabolite of Clofazimine (C324300), an antibacterial (tuberculostatic, leprostatic).
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Additional notes
DefinitionChEBI: 4-{[(3Z)-5-(4-chlorophenyl)-3-(isopropylimino)phenazin-2-yl]amino}phenol is a member of phenazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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