NABITAN
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate
| Molecular Formula | C35H52N2O3 |
|---|---|
| Molecular Weight | 548.8 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 42.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 548.39777 |
| Heavy Atoms | 40 |
| Complexity | 911.0 |
Chemical Identifiers
| CAS Number | 66556-74-9 |
|---|---|
| SMILES | CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)CCCN4CCCCC4 |
| InChIKey | MCVPMHDADNVRKF-UHFFFAOYSA-N |
📖 Product Overview
NABITAN (CAS: 66556-74-9) is a chemical compound with molecular formula C35H52N2O3 and molecular weight 548.8 g/mol. Its IUPAC systematic name is [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate.
MCVPMHDADNVRKF-UHFFFAOYSA-N.
SMILES: CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)CCCN4CCCCC4.
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