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3-[(4-Amino-5-chloro-2-ethoxy-benz-amido)meth-yl]pyrrolo[2,1-c][1,4]oxazin-5-ium chloride monohydrate.

ABSTRACT: The title compound, C(17)H(25)ClN(3)O(3) (+)·Cl(-)·H(2)O, is a monohydrated hydro-chloride salt of a new derivative of mosapride, which is a pharmaceutical compound possessing gastrointestinal pro-kinetic activity. The chloride anion accepts hydrogen bonds from the NH group of the pyrrolooxazine fused-ring system and from the amine group, and the water mol-ecules form hydrogen bonds that bridge between the chloride anion and the C=O bond of the amide.

SUBMITTER: Tong TF

PROVIDER: S-EPMC2967935 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Phenyl-1H-pyrrolo[2,1-c][1,4]oxazin-1-one.

Project description:The mol-ecule of the title compound, C(13)H(9)NO(2), is slightly twisted with a dihedral angle of 4.85?(9)° between the nine-membered ring system and the phenyl ring. The nine non-H atoms of the 1H-pyrrolo[2,1-c][1,4]oxazin-1-one system are coplanar [r.m.s. deviation = 0.0122?(2)?Å]. In the crystal, weak inter-molecular C-H?O inter-actions link mol-ecules into chains along [10]. The crystal studied was an inversion twin with a 0.48624?(9):0.51376?(9) domain ratio.

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Project description:In the crystal structure of the title compound, C(7)H(11)N(2)O(2)S(+)·Cl(-)·H(2)O, the cations, anions and water mol-ecules are linked by inter-molecular N-H?O, N-H?Cl, O-H?O and O-H?Cl hydrogen bonds, forming layers stacked along [20].

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