tubocurarine   Click here for help

GtoPdb Ligand ID: 2294

Synonyms: (+)-tubocurarine | d-tubocurarine
Approved drug
tubocurarine is an approved drug (FDA (1945))
Comment: Tubocurarine is a skeletal muscle relaxant. The structure as specified by the FDA and the INN document shows the compound in complex with chloride (see PubChem CID 9917490). As our data specifies the parent compound, it is this structure we have chosen to display here, and which the majority of entries linked to from the table above display.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 80.62
Molecular weight 609.3
XLogP 4.66
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2CCN(C3c2cc1Oc1cc(ccc1O)CC1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C
Isomeric SMILES COc1cc2CCN([C@@H]3c2cc1Oc1cc(ccc1O)C[C@@H]1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C
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
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes (FDA (1945))
International Nonproprietary Names Click here for help
INN number INN
1460 tubocurarine chloride
Synonyms Click here for help
(+)-tubocurarine | d-tubocurarine
Database Links Click here for help
CAS Registry No. 57-95-4 (source: Scifinder)
ChEMBL Ligand CHEMBL339427
DrugBank Ligand DB01199
DrugCentral Ligand 2781
GtoPdb PubChem SID 135652723
PubChem CID 6000
Search Google for chemical match using the InChIKey JFJZZMVDLULRGK-URLMMPGGSA-O
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Search PubMed clinical trials tubocurarine chloride
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UniChem Compound Search for chemical match using the InChIKey JFJZZMVDLULRGK-URLMMPGGSA-O
UniChem Connectivity Search for chemical match using the InChIKey JFJZZMVDLULRGK-URLMMPGGSA-O
Wikipedia Tubocurarine_chloride