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Pramiconazole

CAT: 0013-GTR19198725-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198725-01Size:1 mg
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Description
Pramiconazole (R126638) is an orally administered small molecule antifungal agent developed for research. It demonstrates potent in vitro activity against dermatophytes and Malassezia species, supporting its investigation for treating cutaneous fungal infections like seborrheic dermatitis in preclinical models.
CAS Number
219923-85-0
Product Name Alternative
Fungal, Azoline, R 126638, R126638, R-126638, Pramiconazole
Field of Research
Infectious Disease & Virology
Purity
98.10% (May vary between batches)
Solubility
DMSO:6.25 mg/mL (9.47 mM)
Smiles
C ([C@]1 (O[C@@H] (COC2=CC=C (C=C2) N3CCN (CC3) C4=CC=C (C=C4) N5C (=O) N (C (C) C) CC5) OC1) C6=C (F) C=C (F) C=C6) N7C=NC=N7
Molecular Formula
C35H39F2N7O4
Molecular Weight
659.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pramiconazole

Pramiconazole is a member of piperazines.

CAS Number219923-85-0
PubChem CID3013050
IUPAC Name1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one
Molecular FormulaC35H39F2N7O4
Molecular Weight659.7
XLogP4.5
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count48
Formal Charge0
Complexity1060
SMILES
CC(C)N1CCN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5OC[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
InChI
InChI=1S/C35H39F2N7O4/c1-25(2)43-17-18-44(34(43)45)29-6-4-27(5-7-29)40-13-15-41(16-14-40)28-8-10-30(11-9-28)46-20-33-47-22-35(48-33,21-42-24-38-23-39-42)31-12-3-26(36)19-32(31)37/h3-12,19,23-25,33H,13-18,20-22H2,1-2H3/t33-,35+/m0/s1
InChIKey
AEKNYBWUEYNWMJ-QWOOXDRHSA-N
Chemical Structure
2D Structure
2D structure of Pramiconazole
CAS: 219923-85-0
CID: 3013050
Formula: C35H39F2N7O4
MW: 659.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight659.7
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass659.30315907
Monoisotopic Mass659.30315907
Topological Polar Surface Area88.4 Ų
Heavy Atom Count48
Formal Charge0
Complexity1060
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

Alternative Products

CatalogName
BUP03387-01Pramiconazole

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