Monocrotaline

Monocrotaline is a natural 11-membered macrocyclic pyrrolizidine alkaloid used in an animal model of pulmonary hypertension. It is metabolized by cytochrome P450 3A4 in the liver to monocrotaline pyrrole. Administration of monocrotaline or its metabolite monocrotaline pyrrole to rats causes progressive lung injury featuring pulmonary vascular remodeling, pulmonary hypertension, and compensatory right heart hypertrophy.Formal Name: (3R,4R,5R)-4,5,8,10,12,13,13aR,13bR-octahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione. CAS Number: 315-22-0. Synonyms: Crotaline, MCT, NSC 28693. Molecular Formula: C16H23NO6. Formula Weight: 325.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: Chloroform: 5 mg/ml, DMF: 1 mg/ml, DMSO: 1 mg/ml. lambdamax: 217 nm. SMILES: O=C([C@](C)(O)[C@](C)(O)[C@H]1C)OCC2=CCN3[C@@]2([H])[C@](CC3)([H])OC1=O. InChi Code: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1. InChi Key: QVCMHGGNRFRMAD-XFGHUUIASA-N.