17-Desacetyl Rocuronium
[CAS# 119302-86-2]

Identification

• Name: 17-Desacetyl Rocuronium
• Synonyms: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-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]phenanthrene-3,17-diol;bromide
• Molecular Formula: C₃₀H₅₁BrN₂O₃
• Molecular Weight: 567.64
• CAS Registry Number: 119302-86-2
• EC Number: 806-463-2
• 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(C(=O)C4)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]

Properties

• Solubility: Slightly soluble (chloroform,methanol)
• Melting point: >196 ºC

Safety Data

• Hazard Symbols: GHS06 Danger
• Hazard Statements: H300-H310-H330
• Precautionary Statements: P260-P262-P264-P270-P271-P280-P284-P301+P316-P302+P352-P304+P340-P316-P320-P321-P330-P361+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	1	H330
Acute toxicity	Acute Tox.	2	H300
Acute toxicity	Acute Tox.	1	H310