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Catalog Number | ACM103548829 |
CAS Number | 103548-82-9 |
Synonyms | Fordimine |
IUPAC Name | (1R,9R,10R)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one |
Molecular Weight | 256.34 |
Molecular Formula | C16H20N2O |
Canonical SMILES | CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4 |
InChI | InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1 |
InChI Key | YYWGABLTRMRUIT-HWWQOWPSSA-N |
Purity | 97%+ (HPLC) |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 543 |
Exact Mass | 256.157563266 |
Heavy Atom Count | 19 |
Isomeric SMILES | CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4 |
Monoisotopic Mass | 256.157563266 |
Topological Polar Surface Area | 41.1Ų |
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