Anidulafungin-13C6

Product Name Anidulafungin-13C6
Alternate Names Anidulafungin Stable Isotopes, Stable Isotopes of Anidulafungin
CAT No. CS-O-14943
CAS No. 166663-25-8 Unlabeled
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Anidulafungin
Therapeutic Anti-Fungals
Smileys O=C([C@](NC(C(NC([C@@](C[C@@H](O)C1)([H])N1C2=O)=O)[C@H](O)[C@H](C3=CC=C(O)C=C3)O)=O)([H])[C@H](O)C)N4[C@@](C(N[C@@H]([C@@H](C[C@@H](C(NC2[C@H](O)C)=O)NC([13C]5=[13CH][13CH]=[13C](C6=CC=C(C7=CC=C(OCCCCC)C=C7)C=C6)[13CH]=[13CH]5)=O)O)O)=O)([H])[C@@H](O)[C@&ড়೭ቌ೭ᶌ೭᪼
Canonical Smiles CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)O)O
InchIKey JHVAMHSQVVQIOT-MFAJLEFUSA-N
Inchl InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1
IUPAC N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide
Controlled No
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Anidulafungin-13C6 is a labeled form of the antifungal medication anidulafungin. It is a member of the echinocandin class of antifungal agents, which work by inhibiting the synthesis of β-(1,3)-D-glucan in the fungal cell wall, leading to cell death. Anidulafungin-13C6 is specifically labeled with six carbon-13 atoms for use in pharmacokinetic and metabolic studies. Anidulafungin-13C6 is typically administered intravenously to treat candidemia, esophageal candidiasis, and invasive aspergillosis in adults. It is also used as prophylaxis in patients at high risk for invasive fungal infections, such as those undergoing hematopoietic stem cell transplantation. Anidulafungin-13C6 has a long half-life, allowing for once-daily dosing and reducing the risk of toxicity. In terms of chemical information, anidulafungin-13C6 has a molecular formula of C58H73N11O17S6 and a molecular weight of 1461.77 g/mol. Its chemical structure consists of a cyclic hexapeptide connected to a lipophilic side chain. Anidulafungin-13C6 is highly protein-bound and is primarily metabolized by hydrolysis to inactive metabolites. Overall, anidulafungin-13C6 is a valuable tool for studying the pharmacokinetics and metabolism of anidulafungin, a potent antifungal medication widely used in clinical practice.

Related Compounds

Anidulafungin-d11 |

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