72901-16-7

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72901-16-7 Structure

Identification	Back Directory
[Name] Bisacodyl Related Compound C (20 mg) (4-[(4-Hydroxyphenyl)(pyridin-2-yl)methyl]phenyl acetate)
[CAS] 72901-16-7
[Synonyms] Bisacodyl EP Impurity C Bisacodyl Related CoMpound C 4-[(RS)-(4-Hydroxyphenyl)-(pyridin- Bisacodyl Impurity 3 (Bisacodyl EP Impurity C) 4-[[4-(Acetyloxy)phenyl]-2-pyridinylmethyl]phenol Phenol, 4-[[4-(acetyloxy)phenyl]-2-pyridinylmethyl]- Bisacodyl EP Impurity C/ Bisacodyl Related Compound C [4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate Bisacodyl Related Compound C (20 mg) (4-[(4-Hydroxyphenyl)(pyridin-2-yl)methyl]phenyl acetate)
[Molecular Formula] C20H17NO3
[MDL Number] MFCD27966914
[MOL File] 72901-16-7.mol
[Molecular Weight] 319.36

Chemical Properties	Back Directory
[Boiling point ] 476.1±45.0 °C(Predicted)
[density ] 1.219±0.06 g/cm3(Predicted)
[storage temp. ] 2-8°C
[solubility ] Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ] Solid
[pka] 10.00±0.10(Predicted)
[color ] White to Pale Yellow
[Major Application] pharmaceutical (small molecule)
[InChI] 1S/C20H17NO3/c1-14(22)24-18-11-7-16(8-12-18)20(19-4-2-3-13-21-19)15-5-9-17(23)10-6-15/h2-13,20,23H,1H3
[InChIKey] IGNJZSFTZVUILA-UHFFFAOYSA-N
[SMILES] n1c(cccc1)C(c3ccc(cc3)OC(=O)C)c2ccc(cc2)O

Safety Data	Back Directory
[WGK Germany ] WGK 3
[HS Code ] 2933399090
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] Desacetyl Bisacodyl is an impurtiy in the preparation of Bisacodyl (B400800), cathartic.

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