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

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levobupivacaine

	Properties	Image
MNX_ID	MNXM157172
reference	chebi:6149
formula	C₁₈H₂₈N₂O
global charge	0
mol weight	288.435
InChIKey	LEBVLXFERQHONN-INIZCTEOSA-N
InChI	InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1
SMILES	CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C

MNX internals

InChI (mnx)	InChI=1/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:5][CH2:12][N:20]1[CH2:13][CH2:7][CH2:6][CH2:11][C@H:16]1[C:18](=[N:19][C:17]1=[C:14]([CH3:2])[CH:9]=[CH:8][CH:10]=[C:15]1[CH3:3])[OH:21]

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
Identifier	Description
CHEBI:6149 chebi:6149 LEBVLXFERQHONN-INIZCTEOSA-N	levobupivacaine (-)-bupivacaine (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (S)-1-butyl-2',6'-pipecoloxylidide (S)-bupivacaine L-(-)-1-Butyl-2',6'-pipecoloxylidide L-(-)-bupivacaine Levobupivacaine
kegg.compound:C07887 keggC:C07887 LEBVLXFERQHONN-INIZCTEOSA-N	L-(-)-1-Butyl-2',6'-pipecoloxylidide Levobupivacaine
kegg.drug:D08116 keggD:D08116 LEBVLXFERQHONN-INIZCTEOSA-N	Levobupivacaine (INN) Novabupi (TN)
hmdb:HMDB0015137 LEBVLXFERQHONN-INIZCTEOSA-N	Levobupivacaine (-)-Bupivacaine (-)-bupivacaine (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (S)-1-Butyl-2',6'-pipecoloxylidide (S)-Bupivacaine Chirocaine L-(-)-1-Butyl-2',6'-pipecoloxylidide L-(-)-Bupivacaine Levobupivacaine hydrochloride Novabupi
seed.compound:cpd04949 seedM:cpd04949 LEBVLXFERQHONN-INIZCTEOSA-O	Levobupivacaine L-(-)-1-Butyl-2',6'-pipecoloxylidide
CHEBI:77458 chebi:77458 LEBVLXFERQHONN-INIZCTEOSA-O	levobupivacaine(1+) (2S)-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium levobupivacaine cation
hmdb:HMDB15137 keggC:M_C07887 keggD:M_D08116 seedM:M_cpd04949	secondary/obsolete/fantasy identifier