MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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dexmethylphenidate

	Properties	Image
MNX_ID	MNXM127903
reference	chebi:51860
formula	C₁₄H₁₉NO₂
global charge	0
mol weight	233.311
InChIKey	DUGOZIWVEXMGBE-CHWSQXEVSA-N
InChI	InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1
SMILES	COC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1

MNX internals

InChI (mnx)	InChI=1/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1
SMILES (mnx)	[CH3:1][O:17][C:14]([C@H:13]([C:11]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[C@H:12]1[CH2:9][CH2:5][CH2:6][CH2:10][NH:15]1)=[O:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:51860 chebi:51860 DUGOZIWVEXMGBE-CHWSQXEVSA-N	dexmethylphenidate (+)-threo-methylphenidate d-threo-methylphenidate dexmethylphenidatum dexmetilfenidato methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate methyl (R)-phenyl[(R)-piperidin-2-yl]acetate
sabiork.compound:27324 sabiorkM:27324 DUGOZIWVEXMGBE-CHWSQXEVSA-N	D-Methylphenidate
kegg.drug:D07806 keggD:D07806 DUGOZIWVEXMGBE-CHWSQXEVSA-N	Dexmethylphenidate (INN)
hmdb:HMDB0015647 DUGOZIWVEXMGBE-CHWSQXEVSA-N	Dexmethylphenidate (+)-Threo-methylphenidate (+)-Threo-methylphenidic acid D-Threo-methylphenidate D-Threo-methylphenidic acid Dexmethylphenidate hydrochloride Dexmethylphenidatum Dexmethylphenidic acid Dexmetilfenidato Focalin Focalin XR Hydrochloride, dexmethylphenidate Methyl (R)-phenyl[(R)-piperidin-2-yl]acetate Methyl (R)-phenyl[(R)-piperidin-2-yl]acetic acid XR, Focalin dexmethylphenidate methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
hmdb:HMDB15647 keggD:M_D07806	secondary/obsolete/fantasy identifier