Input interpretation
(+)-tubocurarine chloride pentahydrate
Chemical names and formulas
formula | C_37H_42Cl_2N_2O_6·5H_2O Hill formula | C_37H_52Cl_2N_2O_11 name | (+)-tubocurarine chloride pentahydrate mass fractions | C (carbon) 57.6% | Cl (chlorine) 9.19% | H (hydrogen) 6.79% | N (nitrogen) 3.63% | O (oxygen) 22.8%
Structure diagram
Structure diagram
Basic properties
molar mass | 771.7 g/mol phase | solid (at STP) melting point | 277.5 °C
Units
Hydrophobicity and permeability properties
predicted LogP hydrophobicity | 3.12 predicted LogS | -6.3
Basic drug properties
approval status | approved | small molecule drug categories | neuromuscular nondepolarizing agent | nicotinic antagonist | skeletal muscle relaxant dosage forms | intravenous: solution
brand names | curare | delacurarine | jexin | tubarine
Chemical identifiers
OC)(C)C)OC.O.O.O.O.O.Cl.[Cl-] InChI identifier | InChI=1/C37H40N2O6.2ClH.5H2O/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);2*1H;5*1H2/t28-, 29+;;;;;;;/m0......./s1/fC37H41N2O6.ClH.Cl.5H2O/h40-41H;;1h;;;;;/q+1;;-1;;;;; InChI key | JFJZZMVDLULRGK-PQZLGKJWDW RTECS number | YO5100000 MDL number | MFCD00150157](../image_source/50d7a1d61a85d41a47b7134af31e3ca6.png)
CAS number | 6989-98-6 Beilstein number | 3896374 PubChem CID number | 23422 PubChem SID number | 24859074 SMILES identifier | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.O.O.O.O.O.Cl.[Cl-] InChI identifier | InChI=1/C37H40N2O6.2ClH.5H2O/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);2*1H;5*1H2/t28-, 29+;;;;;;;/m0......./s1/fC37H41N2O6.ClH.Cl.5H2O/h40-41H;;1h;;;;;/q+1;;-1;;;;; InChI key | JFJZZMVDLULRGK-PQZLGKJWDW RTECS number | YO5100000 MDL number | MFCD00150157