tomatidine
(XYNPYHXGMWJBLV-VXPJTDKGSA-N)
Structure
- SMILES
- C[C@H]1CC[C@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
- Molecular Formula:
- C27H45NO2
- Molecular Weight:
- 415.652
- Log P:
- 5.6956
- Hydrogen Bond Acceptor:
- 3
- Hydrogen Bond Donor:
- 2
- TPSA:
- 41.49
- CAS Number(s):
- 77-59-8
Synonym(s)
1.
tomatidine
2.
5 alpha,20 beta(F),22 alpha(F),25 beta(F),27- azaspirostan-3 beta-ol
3.
tomatidine, (3beta,5alpha,22alpha,25R)-isomer
External Link(s)
| MeSH | C003677 |
| PubChem Compound | 65576 |
| ChEBI | 9629 |
| CHEMBL | CHEMBL2165711 |
| KEGG | cpd:C10826 |
| ZINC | 8143640 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Neoplasm Invasiveness | 23566884 31545954 | CTD |
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