BTX-NMA
1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 2-(methylamino)benzoate
| Molecular Formula | C32H42N2O6 |
|---|---|
| Molecular Weight | 550.7 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 100.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 550.30426 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 97779-14-1 |
|---|---|
| SMILES | CC(C1=CCC23C1(CC(C45C2=CCC6C4(CCC(C6)(O5)O)C)O)CN(CCO3)C)OC(=O)C7=CC=CC=C7NC |
| InChIKey | WRXNSZUMLDUSOO-OCXZKYLZSA-N |
📖 Product Overview
BTX-NMA (CAS: 97779-14-1) is a chemical compound with molecular formula C32H42N2O6 and molecular weight 550.7 g/mol. Its IUPAC systematic name is 1-[(1R,5R,6S,9S,12R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 2-(methylamino)benzoate.
WRXNSZUMLDUSOO-OCXZKYLZSA-N.
SMILES: CC(C1=CCC23C1(CC(C45C2=CCC6C4(CCC(C6)(O5)O)C)O)CN(CCO3)C)OC(=O)C7=CC=CC=C7NC.
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