Tacrolimus Impurity (Methyl Acryl Aldehyde)

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Tacrolimus Impurity (Methyl Acryl Aldehyde)
Category Tacrolimus Analogue Set
Catalog number BBF-05775
CAS 109466-74-2
Molecular Weight 198.26
Molecular Formula C11H18O3
Purity ≥90% by HPLC

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Description

Tacrolimus Impurity (Methyl Acryl Aldehyde) is an impurity of Tacrolimus, which is a calcineurin inhibitor used as an immunosuppressant after organ transplantation to reduce the activity of the patient's immune system, thereby reducing the risk of organ rejection.

Specification

Synonyms (E)-3-[[(1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl]-2-methylacrylaldehyde; [1R-[1α(E),3α,4β]]-3-(4-Hydroxy-3-methoxycyclohexyl)-2-methyl-2-propenal; Tacrolimus Methylacryl Aldehyde; 3-((1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl)-2-methylacrylaldehyde, (E)-; (2E)-3-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylprop-2-enal; (2E)-3-[(1R,3R,4R)-4-Hydroxy-3-methoxycyclohexyl]-2-methylacrylaldehyde; 2-Propenal, 3-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methyl-, (2E)-
Storage Store at -20°C under inert atmosphere
IUPAC Name (E)-3-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylprop-2-enal
Canonical SMILES CC(=CC1CCC(C(C1)OC)O)C=O
InChI InChI=1S/C11H18O3/c1-8(7-12)5-9-3-4-10(13)11(6-9)14-2/h5,7,9-11,13H,3-4,6H2,1-2H3/b8-5+/t9-,10+,11+/m0/s1
InChI Key ZTXGCGOIEHBZMQ-OJHBQYHASA-N

Properties

Appearance White to Off-white Solid
Boiling Point 322.1±42.0 °C(Predicted)
Melting Point 68-71°C
Density 1.05±0.1 g/cm3(Predicted)
Solubility Soluble in Chloroform (Slightly), Methanol (Slightly)

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Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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