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cinitapride

Properties

Image

Occurences in reactions

MNX_ID

MNXM46815

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₁H₃₀N₄O₄

charge

mass

402.22671

reference

chebi:135642

InChIKey

ZDLBNXXKDMLZMF-UHFFFAOYSA-N

InChI

InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)

SMILES

CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135642 chebi:135642	cinitapride cinitapride tartrate paxapride rogastril
kegg.drug:D07700 keggD:D07700	Cinitapride (INN) Paxapride (TN)
hmdb:HMDB0015698	Cinitapride 4-Amino-N-(1-(3-cyclohexen-1-ylmethyl)-4-piperidyl)-2-ethoxy-5-nitrobenzamide 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide Blaston Cidine Cinitapride tartrate Paxapride cinitapride
hmdb:HMDB15698 keggD:M_D07700	secondary/obsolete/fantasy identifier