
API0233358
Bisacodyl
Bisacodyl is a laxative.
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CAS No.
603-50-9
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Synonyms
bisacodyl; 603-50-9; Theralax
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CHEMBL ID
CHEMBL942
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Indications
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Molecule Type
Small molecule
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Compound CID
2391
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Molecular Weight (g/mol)
361.4
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Molecular Formula
C22H19NO4
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InChI
InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
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InChIKey
KHOITXIGCFIULA-UHFFFAOYSA-N
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SMILES
CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3
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IUPAC Name
[4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
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Exact Mass (Da)
361.13140809
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Monoisotopic Mass (Da)
361.13140809
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