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Roxane

PropertiesImage
MNX_IDMNXM108607 Image of MNXM108607
referencechebi:94758
formulaC19H28N2O4
global charge0
mol weight348.443
InChIKeySMTZFNFIKUPEJC-UHFFFAOYSA-N
InChIInChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
SMILESCC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1
MNX internals
InChI (mnx)InChI=1/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23) Image of MNXM108607
SMILES (mnx)[CH3:1][C:16](=[O:22])[O:25][CH2:15][C:19](=[N:20][CH2:9][CH2:6][CH2:12][O:24][C:18]1=[CH:8][CH:5]=[CH:7][C:17]([CH2:14][N:21]2[CH2:10][CH2:3][CH2:2][CH2:4][CH2:11]2)=[CH:13]1)[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:94758
chebi:94758
SMTZFNFIKUPEJC-UHFFFAOYSA-N 		Roxane
2-oxo-2-[(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)amino]ethyl acetate
Roxatidine acetate
aceroxatidine
acetic acid [2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl] ester
pifatidine

kegg.drug:D08495
keggD:D08495
SMTZFNFIKUPEJC-UHFFFAOYSA-N 		Roxatidine acetate (BAN)
hmdb:HMDB0015695
SMTZFNFIKUPEJC-UHFFFAOYSA-N 		Roxatidine acetate
({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}carbamoyl)methyl acetate
Aceroxatidine
Pifatidine
ROXATIDINE
Roxatidina
Roxatidine acetate hydrochloride
Roxatidine acetic acid
Roxatidinum
Roxiwas
Zarocs
roxatidine acetate

hmdb:HMDB15695
keggD:M_D08495 		secondary/obsolete/fantasy identifier