Tubocurarine Chloride Pentahydrate - ≥98% , Muscle-type nicotinic acetylcholine receptor antagonist, CAS No.6989-98-6, Muscle-type nicotinic acetylcholine receptor antagonist

CAS: 6989-98-6 Cat. No.: T161999 Molecular Weight: 771.73 Beilstein Registry Number: 3896370 EC Number: 615-023-7 PubChem CID: 23422

GRADE & PURITY ≥98%

Synonyms

(+)-Tubocurarine chloride pentahydrate | Tubocurarine chloride | d-Tubocurarine chloride pentahydrate | TUBOCURARINE CHLORIDE PENTAHYDRATE | D-Tubocurarine (chloride pentahydrate) | Tubaine | Tubarine pentahydrate

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads,FedEx DG Service

Overview

D-Tubocurarine chloride pentahydrate is the chloride salt form of Tubocurarine, a nicotinic acetylcholine receptors (AChR) antagonist, and can be used as a skeletal muscle relaxant during surgery or mechanical ventilation. D-Tubocurarine chloride pentahydrate is also a potent neuromuscular blocking agent

Application
Competitive, non-selective nicotinic acetylcholine receptor antagonist

Specifications

Synonyms

(+)-Tubocurarine chloride pentahydrate | Tubocurarine chloride | d-Tubocurarine chloride pentahydrate | TUBOCURARINE CHLORIDE PENTAHYDRATE | D-Tubocurarine (chloride pentahydrate) | Tubaine | Tubarine pentahydrate

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Nicotinic acetylcholine receptor competitive antagonist. Muscle relaxant, can be used to induce neuromuscular paralysis.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Muscle-type nicotinic acetylcholine receptor antagonist

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753126
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753126
• 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-]
• 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
• 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
• Isomeric SMILES: CN1CCC2=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-]
• WGK Germany: 3
• RTECS: YO5100000
• Alternate CAS: 57-94-3;57-95-4
• PubChem CID: 23422
• Molecular Weight: 771.73
• Beilstein: 3896370
• Reaxy-Rn: 3896374

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tetraalkylammonium salts Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic zwitterion - Organic chloride salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Hydrochloride - Organic salt - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Methanol; Insoluble in Benzene,Acetone,Ether,Chloroform
• Sensitivity: air sensitive；Moisture sensitive.
• Specific Rotation[α]: 193° (C=1,H2O)
• Melt Point(°C): 268°C(dec.)(lit.)
• Molecular Weight: 771.700 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 770.295 Da
• Monoisotopic Mass: 770.295 Da
• Topological Polar Surface Area: 85.600 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 990.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 8

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