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

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levacetylmethadol

	Properties	Image
MNX_ID	MNXM12100
reference	chebi:6441
formula	C₂₃H₃₁NO₂
global charge	0
mol weight	353.506
InChIKey	XBMIVRRWGCYBTQ-AVRDEDQJSA-N
InChI	InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1
SMILES	CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1
SMILES (mnx)	[CH3:1][CH2:6][C@@H:22]([C:23]([CH2:17][C@H:18]([CH3:2])[N:24]([CH3:4])[CH3:5])([C:20]1=[CH:13][CH:9]=[CH:7][CH:10]=[CH:14]1)[C:21]1=[CH:15][CH:11]=[CH:8][CH:12]=[CH:16]1)[O:26][C:19]([CH3:3])=[O:25]

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:6441 chebi:6441 XBMIVRRWGCYBTQ-AVRDEDQJSA-N	levacetylmethadol (-)-alpha-Acetylmethadol (1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-2-yl acetate 1-alpha-Acetylmethadol LAAM Levacetylmethadol Levomethadyl Levomethadyl acetate Orlaam levacetilmetadol levacetylmethadolum
seed.compound:cpd05005 seedM:cpd05005 XBMIVRRWGCYBTQ-AVRDEDQJSA-O	LAAM Levomethadyl acetate
hmdb:HMDB0015358 XBMIVRRWGCYBTQ-AVRDEDQJSA-N	Levomethadyl Acetate (-)-a-Acetylmethadol (-)-alpha-Acetylmethadol (-)-alpha-acetylmethadol (1S,4S)-4-(Dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate (1S,4S)-4-(Dimethylamino)-1-ethyl-2,2-diphenylpentyl acetic acid (3R,6R)-3-Acetoxy-6-dimethylamino-4,4-diphenylheptane (3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate 1-a-Acetylmethadol 1-alpha-Acetylmethadol 1-alpha-acetylmethadol 6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate Acemethadone Acetylmethadol Alphacetylmethadol Amidolacetate Dimepheptanol LAAM Levacetilmetadol Levacetylmethadol Levacetylmethadolum Levo alpha acetylmethadol Levo-alpha-acetylmethadol Levo-alphacetylmethadol Levo-methadyl acetate Levoacetylmethadol Levomethadyl Levomethadyl acetate hydrochloride Levomethadyl acetic acid Methadol Methadyl acetate Nor-laam Orlaam levomethadyl acetate
kegg.drug:D04716 keggD:D04716 XBMIVRRWGCYBTQ-AVRDEDQJSA-N	Levomethadyl acetate (USAN) Levacetylmethadol (INN)
kegg.compound:C08012 keggC:C08012 XBMIVRRWGCYBTQ-AVRDEDQJSA-N	Levomethadyl acetate LAAM
hmdb:HMDB15358 keggC:M_C08012 keggD:M_D04716 seedM:M_cpd05005	secondary/obsolete/fantasy identifier