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Tacrolimus-[13C,d2]

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General Information
Catalog: BLP-008214
CAS: 1356841-89-8
Molecular Formula: C43[13C]H67D2NO12
Molecular Weight: 807.02

Chemical Structure

Description	Tacrolimus-[13C,d2] is the labelled analogue of Tacrolimus, which is a kind of immunosuppressant and could restrain the activity of FK-506 binding protein.
Synonyms	Advagraf-13C,D2; Fujimycin-13C,D2; FK-506-13C,D2; Prograf-13C,D2; Protopic-13C,D2; TacroBell-13C,D2; Tacrolimus-13C,D2; Tsukubaenolide-13C,D2
IUPAC Name	(1R,9S,12S,13R,14S,17S,21R,23R,24R,25S,27R)-17-(3,3-dideuterio(3-13C)prop-2-enyl)-1,14-dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Related CAS	104987-11-3 (unlabelled)
Canonical SMILES	CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)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/t26-,28-,29-,30+,31+,32+,33-,34+,36-,37-,38+,39-,40-,44-/m1/s1/i1+1D2
InChI Key	QJJXYPPXXYFBGM-AWCWJUJESA-N
Melting Point	90-92°C
Purity	≥85%
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere