97-16-9 Purity
96%
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Specification
The molecular formula of cis-Alpha-hydroxytamoxifen is C26H29NO2.
The molecular weight of cis-Alpha-hydroxytamoxifen is 387.5 g/mol.
The IUPAC name of cis-Alpha-hydroxytamoxifen is (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol.
The InChI key of cis-Alpha-hydroxytamoxifen is BPHFBQJMFWCHGH-QPLCGJKRSA-N.
The canonical SMILES of cis-Alpha-hydroxytamoxifen is CC(C(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3)O.
The InChI of cis-Alpha-hydroxytamoxifen is InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-.
The CAS number of cis-Alpha-hydroxytamoxifen is 97151-02-5.
cis-Alpha-hydroxytamoxifen has 1 hydrogen bond donor count.
The XLogP3-AA value of cis-Alpha-hydroxytamoxifen is 5.9.
cis-Alpha-hydroxytamoxifen has 8 rotatable bond counts.