4-Hydroxytamoxifen
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CAS Number 68047-06-3
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Catalog Number io-406984
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Molecular Weight 387.5000
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SMILES
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Afimoxifene is a tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen. It has a role as a metabolite, an antineoplastic agent and an estrogen receptor antagonist. It is a member of phenols and a tertiary amino compound. It is functionally related to a tamoxifen.
| 1 | 4-Hydroxytamoxifen |
| 2 | (Z)-4-Hydroxytamoxifen |
| 3 | Hydroxytamoxifen |
| 4 | DTXSID7022384 |
| 5 | 4-OHT hydrotamoxifen |
| Molecular Formula | C26H29NO2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 387.5000 |
| InChIKey | TXUZVZSFRXZGTL-QPLCGJKRSA-N |
| InChI | InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- |
| XLogP | 6.8000 |
| ExactMass | 387.2198 |
| MonoisotopicMass | 387.2198 |
| TPSA | 32.7000 |
| Complexity | 493.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 29 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 26895 |
| PatentFamilyCount | 6511 |
| LiteratureCount | 2678 |
