Rocuronium Bromide - ≥98% , CAS No.119302-91-9

CAS: 119302-91-9 Cat. No.: R129955 Formule: C₃₂H₅₃BrN₂O₄ Poids moléculaire: 609.68 Numéro CE: 601-597-6 PubChem CID: 441351

GRADE & PURITY ≥98%

Synonyms

org9426 | Org-9426 | ROCURONIUM BROMIDE (USP MONOGRAPH) | ROCURONIUM BROMIDE [MI] | 1-((2S,3S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-3-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidinium bromide | NSC773

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Rocuronium Bromide is an aminosteroid non-depolarizing neuromuscular blocker or muscle relaxant.
A non-depolarizing neuromuscular blocker used in anesthesia to help insert breathing tubes.

Specifications

Synonymes

org9426 | Org-9426 | ROCURONIUM BROMIDE (USP MONOGRAPH) | ROCURONIUM BROMIDE [MI] | 1-((2S,3S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-3-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidinium bromide | NSC773

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Rocuronium Bromide is an aminosteroid non-depolarizing neuromuscular blocker and muscle relaxant.Potent, reversible acetycholine receptor antagonist (IC 50 values are 22.5 and 33.5 nM at AChRγ and AChRε respectively). Neuromuscular nondepolarizing agent.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

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.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528774649
• Sourires canoniques: CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]
• IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;bromide
• InChIKey: OYTJKRAYGYRUJK-FMCCZJBLSA-M
• INCHI: 1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
• Isomères SMILES: CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]
• CAS alternatif: 143558-00-3
• PubChem CID: 441351
• Poids moléculaire: 609.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Androgens and derivatives 3-alpha-hydroxysteroids N-alkylpyrrolidines Morpholines Tetraalkylammonium salts Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic bromide salts Organic oxides Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroid ester - Androgen-skeleton - Androstane-skeleton - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - Morpholine - Oxazinane - N-alkylpyrrolidine - Cyclic alcohol - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic salt - Amine - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic bromide salt - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
• External Descriptors: quaternary ammonium salt - organic bromide salt

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (122 mg/ml at 25 °C), ethanol (122 mg/ml at 25 °C), DMSO (122 mg/ml at 25 °C), and chloroform.
• Sensibilité: Moisture & heat sensitive.
• Rotation spécifique [α]: 30° (C=1,0.05mol/L HCl)
• Point de fusion (°C): 169 °C
• Poids moléculaire: 609.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 608.319 Da
• Monoisotopic Mass: 608.319 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 898.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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: 2

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