97151-00-3 Purity
96%
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Specification
The molecular formula of cis-Beta-hydroxy tamoxifen is C26H29NO2.
The molecular weight of cis-Beta-hydroxy tamoxifen is 387.5 g/mol.
The IUPAC name of cis-Beta-hydroxy tamoxifen is (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-1-ol.
The InChI of cis-Beta-hydroxy tamoxifen is InChI=1S/C26H29NO2/c1-27(2)18-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-19-28)21-9-5-3-6-10-21/h3-16,28H,17-20H2,1-2H3/b26-25+.
The InChIKey of cis-Beta-hydroxy tamoxifen is XIWBHBPMBIXYBK-OCEACIFDSA-N.
The canonical SMILES of cis-Beta-hydroxy tamoxifen is CN(C)CCOC1=CC=C(C=C1)C(=C(CCO)C2=CC=CC=C2)C3=CC=CC=C3.
The isomeric SMILES of cis-Beta-hydroxy tamoxifen is CN(C)CCOC1=CC=C(C=C1)/C(=C(\CCO)/C2=CC=CC=C2)/C3=CC=CC=C3.
The CAS number of cis-Beta-hydroxy tamoxifen is 97151-04-7.
The XLogP3-AA value of cis-Beta-hydroxy tamoxifen is 5.9.
Yes, cis-Beta-hydroxy tamoxifen is a canonicalized compound.