Tacrolimus
Product Code
ERM-AC022
CAS Number
Product Format
Neat
Molecular Formula
C44 H69 N O12
Molecular Weight
804.02
Product Categories
National Measurement Laboratory (NML) at LGC, Immunosuppressants
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- Product Name: Tacrolimus
- Product Code: ERM-AC022
- CAS Number: 104987-11-3
- Brand: LGC
Documentation
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Product Information
Analyte Data
Analyte Name
Tacrolimus (FK506)
CAS Number
104987-11-3
Molecular Formula
C44 H69 N O12
Molecular Weight
804.02
Measured Value
97.65 %
Accurate Mass
803.482
SMILES
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[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]2C)\C)OC)[C@H](C[C@H]4C)OC
InChI
InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,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
UNITED KINGDOM
Tariff Code
38220000
Product Format
Neat
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