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Metocurine

PropertiesImage
MNX_IDMNXM61962 Image of MNXM61962
referencechebi:6900
formulaC40H48N2O6
global charge2
mol weight652.832
InChIKeyJFXBEKISTKFVAB-AJQTZOPKSA-N
InChIInChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
SMILESCOC1=CC=C2C=C1OC1=CC3=C(C=C1OC)CC[N+](C)(C)[C@H]3CC1=CC=C(C=C1)OC1=C(OC)C(OC)=CC3=C1[C@@H](C2)[N+](C)(C)CC3
MNX internals
InChI (mnx)InChI=1/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1 Image of MNXM61962
SMILES (mnx)[CH3:1][N+:41]1([CH3:2])[CH2:17][CH2:15][C:27]2=[CH:22][C:34]([O:44][CH3:6])=[C:36]3[CH:24]=[C:30]2[C@@H:31]1[CH2:19][C:25]1=[CH:10][CH:13]=[C:29]([CH:12]=[CH:9]1)[O:47][C:40]1=[C:39]([O:46][CH3:8])[C:37]([O:45][CH3:7])=[CH:23][C:28]2=[C:38]1[C@@H:32]([CH2:20][C:26]1=[CH:11][CH:14]=[C:33]([O:43][CH3:5])[C:35](=[CH:21]1)[O:48]3)[N+:42]([CH3:3])([CH3:4])[CH2:18][CH2:16]2
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:6900
chebi:6900
JFXBEKISTKFVAB-AJQTZOPKSA-N 		Metocurine
dimethyltubocurarine
dimethyltubocurarinium chloride
metocurine
metocurine iodide
trimethyltubocurarine iodide

seed.compound:cpd04967
seedM:cpd04967
kegg.compound:C07919
keggC:C07919
JFXBEKISTKFVAB-AJQTZOPKSA-N 		Metocurine
hmdb:HMDB0015429
JFXBEKISTKFVAB-AJQTZOPKSA-N 		Metocurine
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaene-15,30-diium
DMCDM
Dimethyl DL-curine dimethochloride
Dimethyl-L-curine dimethochloride
Dimethyl-L-curine dimethoiodide
Dimethylchondrocurarine
Dimethylcurarine dimethochloride
Dimethylcurine
Dimethyltubocurarine
Metocurine dichloride
Metocurine dichloride(1alpha)-isomer
Metocurine dichloride, (1'alpha)-isomer
Metocurine dichloride, (1beta)-(+-)-isomer
Metocurine dihydroxide
Metocurine diiodide
Metocurine diiodide, (1beta)-(+-)-isomer
Metocurine diiodide, (1beta)-isomer
Metocurine iodide
Metocurine, (1'alpha)-isomer
Metocurine, (1beta)-isomer
Metubine
metocurine

hmdb:HMDB15429
keggC:M_C07919
seedM:M_cpd04967 		secondary/obsolete/fantasy identifier