C42-H50-N4-O4
methyl 17-ethyl-5-[(15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: Ibogamine-18-carboxylic acid, 14-((3alpha)-17-methoxy-17-oxovobasan-3-yl)-, methyl ester
| Molecular Formula | C42H50N4O4 |
|---|---|
| Molecular Weight | 674.3832 g/mol |
| LogP | 6.4803 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 674.3832 |
| Monoisotopic Mass | 674.3832 |
| Heavy Atoms | 50 |
| Complexity | 2041.2869 |
Chemical Identifiers
| CAS Number | 80981-95-9 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC=C5C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC |
Product Overview
C42-H50-N4-O4 (CAS 80981-95-9), with molecular formula C42H50N4O4 and molecular weight 674.3832 g/mol. IUPAC: methyl 17-ethyl-5-[(15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.
C42-H50-N4-O4 is a custom synthesis product. We offer services from milligram to kilogram scale.
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