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Product Overview

Product Code

TRC-F370020

CAS Number

131944-48-4

Product Format

Neat

Molecular Formula

C44 H69 N O12

Molecular Weight

804.02

API Family

Tacrolimus

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Tacrolimus TLC Impurity 2

CAS Number

131944-48-4

Molecular Formula

C44 H69 N O12

Molecular Weight

804.02

Accurate Mass

803.482

SMILES

CO[C@@H]1C[C@@H](CC[C@H]1O)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@@H](C)\C=C\2/C)\C)OC)[C@H](C[C@H]4C)OC

InChI

InChI=1S/C44H69NO12/c1-10-13-30-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-29(6)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(31-15-16-33(46)36(23-31)53-7)28(5)21-27(4)34(47)24-35(30)48/h10,19,21,26-27,29-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,28-21+/t26-,27-,29+,30+,31+,32-,33+,34-,36+,37-,38-,39-,40+,44+/m0/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Tacrolimus

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Chemical Data

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(E/Z)-FK-506 26,28-Allylic Ester Rearrangement Impurity (>90%)

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