API0232353
Cisapride Monohydrate
Cisapride Monohydrate is a gastrointestinal prokinetic.
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CAS No.
260779-88-2
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Synonyms
Cisapride monohydrate; 260779-88-2; UNII-VZV0A4I38W
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CHEMBL ID
CHEMBL1546244
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Molecule Type
Small molecule
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Compound CID
6917697
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Molecular Weight (g/mol)
484
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Molecular Formula
C23H31ClFN3O5
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InChI
InChI=1S/C23H29ClFN3O4.H2O/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16;/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29);1H2/t20-,22+;/m1./s1
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InChIKey
QBYYXIDJOFZORM-LBPAWUGGSA-N
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SMILES
CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O
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IUPAC Name
4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
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Exact Mass (Da)
483.193627
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Monoisotopic Mass (Da)
483.193627
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