rac Butoconazole-d5 Nitrate
Product Code
TRC-B690272
Product Format
Neat
Molecular Formula
C19 D5 H12 Cl3 N2 S . H N O3
Molecular Weight
479.819
Product Categories
TRC, Other antifungals, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Product Information
Chemical Data
Analyte Name
rac Butoconazole-d5 Nitrate
Molecular Formula
C19 D5 H12 Cl3 N2 S . H N O3
Molecular Weight
479.819
Accurate Mass
478.045
SMILES
[2H]C([2H])(Cc1ccc(Cl)cc1)[C@@]([2H])(Sc2c(Cl)cccc2Cl)C([2H])([2H])n3ccnc3.O[N+](=O)[O-]
InChI
InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)/t16-;/m1./s1/i9D2,12D2,16D;
IUPAC
1-[(2R)-4-(4-chlorophenyl)-1,1,2,3,3-pentadeuterio-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
Unlabelled CAS Number
64872-77-1
SIL Type
Deuterium
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Product Description
Imidazole derivative with antifungal properties.
References: Walker, K.A.M., et al.: J. Med. Chem., 21, 840 (1978), Odds, F.C., et al.: J. Antimicrob. Chemother., 14, 105 (1984),