CAS 6989-98-6 Tubocurarine Chloride Pentahydrate, 98%

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Tubocurarine Chloride Pentahydrate, 98%

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Catalog Number

ACM6989986

Product Name

Tubocurarine Chloride Pentahydrate, 98%

Structure

CAS

6989-98-6

Category

Other Glass and Ceramic Materials

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

Molecular Weight

771.7g/mol

Molecular Formula

C37H52Cl2N2O11

Canonical SMILES

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

InChI=1S/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

InChI Key

WMIZITXEJNQAQK-GGDSLZADSA-N

Complexity

990

Covalently-Bonded Unit Count

EC Number

200-356-9;615-023-7

Exact Mass

770.294816g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms