3,14-dihydrodecussine
(12S,20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene
Also Known As: 3,14-dihydrodecussine|J3.782.141A|1,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene, 1,2,3,8,13,13a-hexahydro-1,8-dimethyl-, (8R,13aS)-|(12S,20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene|(8R,13aS)-1,8-Dimethyl-1,2,3,8,13,13a-hexahydro-1,7b,10-triazabenzo[5,6]cyclohepta[1,2,3-jk]fluorene|7,13-Dimethyl-5,6,7,7a,8,13-hexahydro-7,11,13a-triazabenzo[5,6]cyclohepta[1,2,3-jk]fluorene
| Molecular Formula | C20H21N3 |
|---|---|
| Molecular Weight | 303.17355 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.17355 |
| Monoisotopic Mass | 303.17355 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 79082-57-8 |
|---|---|
| SMILES | C[C@@H]1C2=C(C[C@H]3C4=C(CCN3C)C5=CC=CC=C5N14)C=CN=C2 |
| InChIKey | YFWSIGRPVGRELZ-YJYMSZOUSA-N |
Product Overview
3,14-dihydrodecussine (CAS 79082-57-8), with molecular formula C20H21N3 and molecular weight 303.17355 g/mol. IUPAC: (12S,20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),14(19),15,17-heptaene.
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