CAS Registry Number®
260779-88-2
CAS Name
Cisapride monohydrate
Molecular Formula
C23H29ClFN3O4.H2O
Other Names and Identifiers
InChI
InChI=1/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+;/s2
InChIKey
InChIKey=QBYYXIDJOFZORM-IQBRHYPJNA-N
SMILES
C(N[C@H]1[C@@H](OC)CN(CCCOC2=CC=C(F)C=C2)CC1)(=O)C3=C(OC)C=C(N)C(Cl)=C3.O
Canonical SMILES
O=C(NC1CCN(CCCOC2=CC=C(F)C=C2)CC1OC)C=3C=C(Cl)C(N)=CC3OC.O
Other Names for this Substance
- Benzamide, 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-, hydrate (1:1), rel–
- Benzamide, 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-, monohydrate, rel–
- Cisapride monohydrate
