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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | tubocurarine | |
| Synonyms |
d-tubocurarine 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium Tubocurarin (+)-tubocurarine 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium Tubocurarine |
|
| Definitions |
A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9774 |
|
| charge |
+1
|
|
| database_cross_reference |
PMID:6196640 CAS:57-95-4 Wikipedia:Tubocurarine_chloride Drug_Central:2781 PMID:8166227 PDBeChem:TC9 KEGG:C07547 Reaxys:3898737 DrugBank:DB01199 KNApSAcK:C00001927 PMID:7911306 PMID:2215478 LINCS:LSM-4245
|
|
| definition |
A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.
|
|
| formula |
C37H41N2O6
|
|
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_51371 |
|
| has_exact_synonym |
7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium Tubocurarine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
d-tubocurarine 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium Tubocurarin (+)-tubocurarine
|
|
| id |
CHEBI:9774
|
|
| in_subset | ||
| inchi |
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
|
|
| inchikey |
JFJZZMVDLULRGK-URLMMPGGSA-O
|
|
| label |
tubocurarine
|
|
| mass |
609.73132
|
|
| monoisotopicmass |
609.29591
|
|
| notation |
CHEBI:9774
|
|
| prefLabel |
tubocurarine
|
|
| smiles |
[H][C@]12Cc3ccc(Oc4c(O)c(OC)cc5CC[N+](C)(C)[C@]([H])(Cc6ccc(O)c(Oc7cc1c(CCN2C)cc7OC)c6)c45)cc3
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| treeView | ||
| subClassOf |
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