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(R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole-[13C6]

General Information
Catalog: BLP-006366
CAS: 1448358-08-4
Molecular Formula: C3[13C]6H14N2O5
Molecular Weight: 236.17
Chemical Structure
(R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole-[13C6]
Description (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole-[13C6] is the labelled analogue of (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole, which inhibits sphinogosine-1-phosphate (S1P) lyase for treatment of autoimmune disorders.
Synonyms (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole-13C6; 1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]-ethanone-13C6; [1R-(1R*,2S*,3R*)]-1-[4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl]-ethanone-13C6
IUPAC Name 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxy(1,2,3,4-13C4)butyl]-(4,5-13C2)1H-imidazol-2-yl]ethanone
Related CAS 94944-70-4 (unlabelled)
Canonical SMILES CC(=O)C1=NC=C(N1)C(C(C(CO)O)O)O
InChI InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1/i2+1,3+1,5+1,6+1,7+1,8+1
InChI Key CQSIXFHVGKMLGQ-TXJWGFBCSA-N
Melting Point >221°C (dec.)
Purity ≥98%; ≥98% atom 13C
Solubility Slightly soluble in Aqueous Acid (Heated, Sonicated), Chloroform (Sonicated)
Appearance Pale Grey Solid
Storage Store at -20°C

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