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Product Overview

Product Code

TRC-V096515

Product Format

Neat

Molecular Formula

C53H52Cl2N8O17 • C2HF3O2 • xH2O

Molecular Weight

1143.941140218

API Family

Vancomycin

Product Categories

Impurity Reference Materials , Pharmaceutical Toxicology Reference Materials , TRC

Product Type

Impurity

Alternate CAS Number

82198-76-3

Documentation

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Product Information

Chemical Data

Analyte Name

Vancomycin Aglycon Trifluoroacetic Acid Salt Hydrate

Molecular Formula

C53H52Cl2N8O17 • C2HF3O2 • xH2O

Molecular Weight

1143.941140218

SMILES

OC1=C(OC2=CC=C([C@@]([H])(O)[C@](NC([C@@](NC)([H])CC(C)C)=O)([H])C3=O)C=C2Cl)C=C([C@]([H])(C(NC4([H])C(N[C@]5([H])C(NC([H])(C(O)=O)C(C=C(O)C=C6O)=C6C7=C(O)C=CC4=C7)=O)=O)=O)NC([C@@](CC(N)=O)([H])N3)=O)C=C1OC8=CC=C([C@]5(O)[H])C=C8Cl

InChI

InChI=1S/C53H52Cl2N8O17/c1-19(2)10-29(57-3)47(71)62-42-44(68)21-5-8-33(27(54)12-21)79-35-14-23-15-36(46(35)70)80-34-9-6-22(13-28(34)55)45(69)43-52(76)61-41(53(77)78)26-16-24(64)17-32(66)38(26)25-11-20(4-7-31(25)65)39(49(73)63-43)60-50(74)40(23)59-48(72)30(18-37(56)67)58-51(42)75/h4-9,11-17,19,29-30,39-45,57,64-66,68-70H,10,18H2,1-3H3,(H2,56,67)(H,58,75)(H,59,72)(H,60,74)(H,61,76)(H,62,71)(H,63,73)(H,77,78)/t29-,30+,39?,40-,41?,42-,43+,44-,45-/m1/s1

Alternate CAS Number

82198-76-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Vancomycin

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Chemical Data

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Vancomycin Aglycon Trifluoroacetic Acid Salt Hydrate

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