Products 6989-98-6

CAS 6989-98-6 appears in our catalog under these names: Tubocurarine dichloride pentahydrate, ≥98%, ≥98%, (+)-Tubocurarine chloride pentahydrate, 98+% , (+)-Tubocurarine Chloride Hydrochloride Pentahydrate, >95% (HPLC). Offered by: Chemat, Thermo Scientific (Alfa Aesar), TRC. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg.

Structural formula: {0} (CAS {1})

(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride;pentahydrate;hydrochloride (CAS 6989-98-6) is a chemical compound with the molecular formula C37H52Cl2N2O11 and a molecular weight of 771.7 g/mol. IUPAC name: (1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride;pentahydrate;hydrochloride. InChIKey: WMIZITXEJNQAQK-GGDSLZADSA-N.

Identity
Molecular formulaC37H52Cl2N2O11
Molecular weight771.7 g/mol
IUPAC name(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride;pentahydrate;hydrochloride
InChIKeyWMIZITXEJNQAQK-GGDSLZADSA-N
SMILESCN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.O.O.O.O.O.Cl.[Cl-]

Computed by PubChem (NCBI)