Monocrotaline N-Oxide-D4

CAS: 35337-98-5

Ref. TR-M526007

Product Information

• Name: Monocrotaline N-Oxide-D4
• Synonyms: (4R,5R,6R,16R)-9,9,12,12-tetradeuterio-5,6-dihydroxy-4,5,6-trimethyl-13-oxo-2,8-dioxa-13?5-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione, 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, 4-oxide, (13α,14α)-, Monocrotaline oxide, 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, 11-oxide, (3R,4S,5S,13aR,13bR)-, Monocrotaline, N-oxide

Description

Applications Monocrotaline N-oxide-D4 is a labelled analogue of Monocrotaline N-oxide (M526005). Monocrotaline N-oxide is a pyrrolizidine alkaloid that is hepatoxic to livestock and carcinogenic to rats. Monocrotaline N-oxide is extracted from Crotalaria grahamiana, a legume-bearing, perennial shrub that grows in South India, and in some parts of Kenya.
References Bünemann, E., et al.: Plant and Soil, 264, 195 (2004); Davenport, J. & Conner, W.: J. Insect Sci., 3, No pp. given (2003); Wang, J., et al.: Asian J. Trad. Med., 4, 41 (2009)

• Brand: TRC

Chemical properties

• Molecular weight: 345.381
• Formula: C₁₆D₄H₁₉NO₇
• Color/Form: Neat
• 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/i6D2,8D2
• InChI key: InChIKey=LHVAZUAALQTANZ-XOKUWERUSA-N
• SMILES: [2H]C1([2H])OC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)OC2CC[N+]3([O-])[C@@H]2C1=CC3([2H])[2H]