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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:6900 - Metocurine
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ChEBI Ontology
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ChEBI Name
Metocurine
ChEBI ID
CHEBI:6900
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C40H48N2O6
Net Charge
+2
Average Mass
652.820
Monoisotopic Mass
652.35014
InChI
InChI=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
InChIKey
JFXBEKISTKFVAB-AJQTZOPKSA-N
SMILES
COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc3ccc(C[C@H]4c5cc(Oc1c2)c(OC)cc5CC[N+]4(C)C)cc3
ChEBI Ontology
Outgoing
Metocurine (
CHEBI:6900
)
is a
isoquinolines (
CHEBI:24922
)
Synonyms
Sources
dimethyltubocurarine
DrugCentral
dimethyltubocurarinium chloride
DrugCentral
Metocurine
KEGG COMPOUND
metocurine
DrugCentral
metocurine iodide
DrugCentral
trimethyltubocurarine iodide
DrugCentral
Manual Xrefs
Databases
908
DrugCentral
C07919
KEGG COMPOUND
HMDB0015429
HMDB
View more database links
Registry Number
Type
Source
5152-30-7
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017