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loading...| Preferred Name |
Metocurine iodide |
|
| Synonyms |
Metocurine iodide Metubine iodide |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_6901 |
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| charge |
0 |
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| database_cross_reference |
KEGG:D00761 CAS:7601-55-0 |
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| formula |
C40H48N2O6.2I C40H48I2N2O6 |
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| has_exact_synonym |
Metocurine iodide |
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| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
Metubine iodide |
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| id |
CHEBI:6901 |
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| in_subset | ||
| inchi |
InChI=1S/C40H48N2O6.2HI/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;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1 |
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| inchikey |
DIGFQJFCDPKEPF-OIUSMDOTSA-L |
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| label |
Metocurine iodide |
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| mass |
906.629 |
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| monoisotopicmass |
906.16018 |
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| notation |
CHEBI:6901 |
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| prefLabel |
Metocurine iodide |
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| smiles |
[I-].[I-].C=12[C@@]3([N+](C)(CCC1C=C(C(=C2OC4=CC=C(C=C4)C[C@@]5([N+](CCC6=C5C=C(OC=7C(OC)=CC=C(C3)C7)C(=C6)OC)(C)C)[H])OC)OC)C)[H] |
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| treeView | ||
| subClassOf |
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