chempirical

Cisapride

C23H29ClFN3O4CAS 81098-60-4465.95 g/mol

Open in Covalent MOL file
ONH2ClONHNOFO
Aryl halideEtherPrimary amineTertiary amine

Properties

Molecular formula
C23H29ClFN3O4
Molar mass
465.95 g/mol
Exact mass
465.1831 Da
Melting point
109.8 °C
logP
3.93Crippen estimate
Polar surface area
89.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
9
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
81098-60-4
SMILES
COc1cc(N)c(Cl)cc1C(O)=N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC
InChIKey
DCSUBABJRXZOMT-HJWBXKIQNA-N
InChI
InChI=1/C23H29ClFN3O4/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)/t20-,22+/s2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Benzamide, 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-, rel-
  • Benzamide, 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-, cis-
  • Rel-4-Amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide
  • R 51619
  • Propulsid
  • Acenalin
  • (±)-Cisapride
  • T 1341
  • Prepulsid
  • cis-2-Methoxy-4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]benzamide
  • Propulsin
  • Alimix
  • Risamal
  • Cipril
  • Coordinax
  • Cisad

Work with Cisapride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mosapride112885-41-345 % similar Metoclopramide364-62-543 % similar Metoclopramide hydrochloride7232-21-541 % similar Clebopride hydrogen malate57645-91-741 % similar Metoclopramide monohydrochloride monohydrate54143-57-640 % similar Mosapride citrate112885-42-438 % similar Prucalopride179474-81-838 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook