VOACAMINE
methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R)-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]-7-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: VOACAMINE
| Molecular Formula | C43H52N4O5 |
|---|---|
| Molecular Weight | 704.3938 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 704.3938 |
| Monoisotopic Mass | 704.3938 |
| Heavy Atoms | 52 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 3371-85-5 |
|---|---|
| SMILES | CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)[C@H]6C[C@@H]7C([C@@H](CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)C(=O)OC |
| InChIKey | VCMIRXRRQJNZJT-VRMHCKLLSA-N |
Product Overview
VOACAMINE (CAS 3371-85-5), with molecular formula C43H52N4O5 and molecular weight 704.3938 g/mol. IUPAC: methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R)-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]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate.
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