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tubocurarine

Properties

Image

Occurences in reactions

MNX_ID

MNXM13197

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₇H₄₁N₂O₆

charge

mass

609.29591

reference

chebi:9774

InChIKey

JFJZZMVDLULRGK-URLMMPGGSA-O

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

SMILES

COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9774 chebi:9774	tubocurarine (+)-tubocurarine 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium Tubocurarin Tubocurarine d-tubocurarine
seed.compound:cpd04717 seedM:cpd04717 kegg.compound:C07547 keggC:C07547	Tubocurarine
hmdb:HMDB0015330	Tubocurarine (+)-Tubocurarine (1S,16R)-9,21-dihydroxy-10,25-dimethoxy-15,15,30-trimethyl-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-dodecaen-15-ium 7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium D-Tubocurare D-Tubocurarine D-Tubocurarine chloride Isoquinoline alkaloid Tubocurare Tubocurarin Tubocurarine chloride Tubocurarinum tubocurarine
hmdb:HMDB15330 keggC:M_C07547 seedM:M_cpd04717	secondary/obsolete/fantasy identifier