Tamoxifen Citrate
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CAS Number 54965-24-1
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Catalog Number io-406913
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Molecular Weight 563.6000
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SMILES
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Tamoxifen Citrate can cause developmental toxicity according to state or federal government labeling requirements.
| 1 | Tamoxifen citrate |
| 2 | Zitazonium |
| 3 | Kessar |
| 4 | Zemide |
| 5 | Jenoxifen |
| Molecular Formula | C32H37NO8 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 563.6000 |
| InChIKey | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| InChI | InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; |
| XLogP | 0.0000 |
| ExactMass | 563.2519 |
| MonoisotopicMass | 563.2519 |
| TPSA | 145.0000 |
| Complexity | 690.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 13 |
| HeavyAtomCount | 41 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 49152 |
| PatentFamilyCount | 15254 |
| LiteratureCount | 20935 |
