Monocrotaline N-Oxide

• CAT Number: R045495
• CAS Number: 35337-98-5
• Molecular Formula: C16H23NO7
• Molecular Weight: 341.36
• Purity: ≥95%
• Synonyms: (1R,4R,5S,6S,16R)-5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
• InChI: InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15-,16+,17?/m0/s1
• InChIKey: LHVAZUAALQTANZ-DZIFAQNXSA-N
• SMILES: CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]

Monocrotaline N-Oxide, a monocrotaline metabolite, leads to DNA adduct formation in vivo[1].

Reference

[1]. Wang YP, et al. Metabolic activation of the tumorigenic pyrrolizidine alkaloid, monocrotaline, leading to DNA adduct formation in vivo. Cancer Lett. 2005 Aug 8;226(1):27-35.
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