Hydroxy Itraconazole D6

Product Name Hydroxy Itraconazole D6
Alternate Names Itraconazole Stable Isotopes, Stable Isotopes of Itraconazole
CAT No. CS-AI-00198
CAS No. 112559-91-8 (Unlabelled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 727.67 g/mol
Mol. For. C35H32D6Cl2N8O5
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Itraconazole
Canonical Smiles CC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
InchIKey ISJVOEOJQLKSJU-UHFFFAOYSA-N
Inchl InChI=1S/C35H38Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-25,31,46H,13-16,18-20H2,1-2H3
IUPAC 4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3-hydroxybutan-2-yl)-1,2,4-triazol-3-one
Controlled No
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Related Compounds

Hydroxy Itraconazole-d5 | Keto Itraconazole-d8 | Itraconazole D3 | Itraconazole D9 | Itraconazole D5 | Hydroxy Itraconazole D8 |

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