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Product Overview

Product Code

TRC-A673010

Product Format

Neat

Molecular Formula

C58 H73 N7 O17

Molecular Weight

1140.237

API Family

Anidulafungin

Product Categories

TRC, Other antifungals, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Documentation

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Product Information

Chemical Data

Analyte Name

Anidulafungin Open-chain Degradant (Technical grade)

Molecular Formula

C58 H73 N7 O17

Molecular Weight

1140.237

Accurate Mass

1139.506

SMILES

CCCCCOc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)N4[C@H](O)[C@H](O)C[C@@H]4C(=O)N[C@@H]([C@H](C)O)C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H]([C@H](O)[C@@H](O)c6ccc(O)cc6)C(=O)N[C@@H]([C@H](C)O)C(=O)N7C[C@H](C)[C@H](O)[C@@H]7C(=O)N

InChI

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)55(78)65-42(26-43(70)56(65)79)53(76)60-44(30(3)66)57(80)63-28-39(69)25-41(63)52(75)62-46(50(73)49(72)36-16-20-38(68)21-17-36)54(77)61-45(31(4)67)58(81)64-27-29(2)48(71)47(64)51(59)74/h8-23,29-31,39,41-50,56,66-73,79H,5-7,24-28H2,1-4H3,(H2,59,74)(H,60,76)(H,61,77)(H,62,75)/t29-,30-,31-,39+,41-,42+,43+,44-,45-,46-,47+,48-,49-,50-,56+/m0/s1

IUPAC

(2R,4R,5R)-N-[(2S,3S)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3S)-1-[(2R,3S,4S)-2-carbamoyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-4,5-dihydroxy-1-[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]pyrrolidine-2-carboxamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Anidulafungin

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