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Clofazimine 500mg

CAT: 0628-A16462-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A16462-500Size:500 mg
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CAS Number
2030-63-9

Chemical Information

Clofazimine

Clofazimine is 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients. It has a role as a non-steroidal anti-inflammatory drug, a leprostatic drug and a dye. It is a member of phenazines and a member of monochlorobenzenes.

CAS Number2030-63-9
PubChem CID2794
IUPAC NameN,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine
Molecular FormulaC27H22Cl2N4
Molecular Weight473.4
XLogP7.1
Topological Polar Surface Area40
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity829
SMILES
CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3
InChIKey
WDQPAMHFFCXSNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clofazimine
CAS: 2030-63-9
CID: 2794
Formula: C27H22Cl2N4
MW: 473.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass472.1221521
Monoisotopic Mass472.1221521
Topological Polar Surface Area40 Ų
Heavy Atom Count33
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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