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tubocurarine

Go to external page http://purl.obolibrary.org/obo/CHEBI_9774

A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.

Term info

Label

tubocurarine

Synonyms
  • 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium
  • Tubocurarine
database cross reference
Subsets

3_STAR

IUPAC NAME
7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium [ IUPAC ]

charge

+1

formula

C37H41N2O6

has obo namespace

chebi_ontology

has related synonym

7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium, (+)-tubocurarine, Tubocurarin, d-tubocurarine

id

CHEBI:9774

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

mass

609.73132

monoisotopicmass

609.29591

smiles

[H][C@]12Cc3ccc(Oc4c(O)c(OC)cc5CC[N+](C)(C)[C@]([H])(Cc6ccc(O)c(Oc7cc1c(CCN2C)cc7OC)c6)c45)cc3