GABUNAMINE
methyl 17-ethyl-7-(15-ethylidene-18-methoxycarbonyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Also Known As: N-DEMETHYLCONODURAMINE B640243K425
CAS: 66086-99-5
| Molecular Formula | C42H50N4O5 |
|---|---|
| Molecular Weight | 690.3781 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 690.3781 |
| Monoisotopic Mass | 690.3781 |
| Heavy Atoms | 51 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 66086-99-5 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)C6CC7C(C(CC8=C6NC9=CC=CC=C89)NCC7=CC)C(=O)OC)OC)C(=O)OC |
| InChIKey | PIUQMWWFBLVDEE-UHFFFAOYSA-N |
Product Overview
GABUNAMINE (CAS 66086-99-5), with molecular formula C42H50N4O5 and molecular weight 690.3781 g/mol. IUPAC: methyl 17-ethyl-7-(15-ethylidene-18-methoxycarbonyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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