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Elubiol

CAT: 0931-T35353-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T35353-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67914-69-6
Target
Others, Antifungal, Antibacterial
Related Pathways
Microbiology/Virology, Others
Purity
0.9973
Bioactivity
Elubiol (dichlorophenyl imidazoldioxolan) is a new broad-spectrum antifungal product of imidazole, which can inhibit the biosynthesis of fungal ergosterol and change the composition of other lipid compounds in the cell membrane. Elubiol is used for skin and hair care in subjects with oily skin or dandruff.
Smiles
C([C@]1(O[C@@H](COC2=CC=C(C=C2)N3CCN(C(OCC)=O)CC3)CO1)C4=C(Cl)C=C(Cl)C=C4)N5C=CN=C5
Molecular Formula
C27H30Cl2N4O5
Molecular Weight
561.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dichlorophenyl imidazoldioxolan
CAS Number67914-69-6
PubChem CID158496
IUPAC Nameethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate
Molecular FormulaC27H30Cl2N4O5
Molecular Weight561.5
XLogP5.1
Topological Polar Surface Area78.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity768
SMILES
CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C27H30Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,27-/m0/s1
InChIKey
VEVFSWCSRVJBSM-HOFKKMOUSA-N
Chemical Structure
2D Structure
2D structure of Dichlorophenyl imidazoldioxolan
CAS: 67914-69-6
CID: 158496
Formula: C27H30Cl2N4O5
MW: 561.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight561.5
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass560.1593255
Monoisotopic Mass560.1593255
Topological Polar Surface Area78.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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