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79639-04-6

79639-04-6 | 1H-Pyrrole, 2-nonyl-

CAS No: 79639-04-6 Catalog No: AG00514Z MDL No:

Product Description

Catalog Number:
AG00514Z
Chemical Name:
1H-Pyrrole, 2-nonyl-
CAS Number:
79639-04-6
Molecular Formula:
C13H23N
Molecular Weight:
193.3284
IUPAC Name:
2-nonyl-1H-pyrrole
InChI:
InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h9,11-12,14H,2-8,10H2,1H3
InChI Key:
GPRHFTZHIFMTGJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc[nH]1

Properties

Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.183g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.334g/mol
Monoisotopic Mass:
193.183g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  

Literature

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CYP51: A major drug target in the cytochrome P450 superfamily. Lipids 20081201
The Candida glabrata putative sterol transporter gene CgAUS1 protects cells against azoles in the presence of serum. The Journal of antimicrobial chemotherapy 20071201
A new non-azole inhibitor of ABA 8'-hydroxylase: effect of the hydroxyl group substituted for geminal methyl groups in the six-membered ring. Bioorganic & medicinal chemistry letters 20060615
Voriconazole in the management of nosocomial invasive fungal infections. Therapeutics and clinical risk management 20060601
Azole and fungicide resistance in clinical and environmental Aspergillus fumigatus isolates. Medical mycology 20050501
Structure-based de novo design, synthesis, and biological evaluation of non-azole inhibitors specific for lanosterol 14alpha-demethylase of fungi. Journal of medicinal chemistry 20030213
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