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Tubocurarine Chloride Pentahydrate, 98%

Catalog Number
ACM6989986
CAS Number
6989-98-6
Product Name
Tubocurarine Chloride Pentahydrate, 98%
Structure
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
Application
Tubocurarine Chloride Pentahydrate, 98%, serves as a potent neuromuscular blocking agent, historically significant as the first non-depolarizing agent used in human medical practice. Derived from the bark of the Chondrodendron tomentosum plant native to South America, it was traditionally employed by indigenous peoples as an arrow poison. Its primary action is to induce muscle relaxation by blocking neuromuscular transmission, although it can also cause histamine release, leading to hypotension and compensatory tachycardia. Even though it is now unavailable in the UK, tubocurarine paved the way for other neuromuscular blockers by demonstrating the therapeutic potential of such compounds.
Complexity
990
Covalently-Bonded Unit Count
8
EC Number
200-356-9;615-023-7
Exact Mass
770.294816g/mol
Formal Charge
0
Heavy Atom Count
52
MeSH Entry Terms
d-Tubocurare;d-Tubocurarine;Tubocurare;Tubocurarine;Tubocurarine Chloride
Monoisotopic Mass
770.294816g/mol
Rotatable Bond Count
2
UNII
900961Z8VR
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