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Central nervous system drugs

Rocuronium

Also known as Rocuronium ion, Rocuronium cation, Esmerone

CAS 143558-00-3Formula C32H53N2O4+Molar mass 529.79 g/mol
16 suppliers listed Drug substance
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Rocuronium chemical structure, C32H53N2O4+, CAS 143558-00-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
143558-00-3
Formula
C32H53N2O4+
Molar mass
529.79 g/mol
HS code
293499
Category
Central nervous system drugs

What is Rocuronium?

Plain description, key identifiers and synonyms

Rocuronium is a 5alpha-androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents. It has a role as a muscle relaxant, a neuromuscular agent and a drug allergen. It is a quaternary ammonium ion, an androstane, a 3alpha-hydroxy steroid, a member of morpholines, an acetate ester and a tertiary amino compound. It derives from a hydride of a 5alpha-androstane.

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
143558-00-3 CAS number cross-checkedOther or deprecated CAS: 119302-91-9
Molecular formula
C32H53N2O4+
UNII
WRE554RFEZ
InChIKey
YXRDKMPIGHSVRX-OOJCLDBCSA-N
InChI
InChI=1S/C32H53N2O4/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/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
Canonical SMILES
C=CC[N+]1(C2CC3C4CCC5CC(O)C(N6CCOCC6)CC5(C)C4CCC3(C)C2OC(C)=O)CCCC1
Isomeric 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

Synonyms

  • Rocuronium ion
  • Rocuronium cation
  • Esmerone
  • 1-(17-(acetoyl)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)pyrrolidinium
  • Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-(2-propen-1-yl)-1-pyrrolidiniumyl)-, 17-acetate, (2beta,3alpha,5alpha,16beta,17beta)-
  • Zemuron
  • RBr
  • (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane
  • 1-[(2|A,3|A,5|A,16|A,17|A)-17-(Acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)pyrrolidinium
  • 17alpha-(acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16alpha-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5beta,8alpha,14beta-androstane
  • 17beta-(Acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16beta-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5alpha-androstane
  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17.beta.)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
529.79 g/molcalc.
Exact mass
529.40 Dacalc.
LogP (octanol/water)
4.41calc.
Topological polar surface area
59 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
38calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
1calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCN(C2CC3CCC4C5CC(N6CCOCC6)CCC5CCC4C3C2)C1

C1CCN(C2CC3CCC4C5CC(N6CCOCC6)CCC5CCC4C3C2)C1

6 rings, 28 atoms.

10 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Rocuronium suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 16 suppliers
16 of 16 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

16 suppliers in 5 countries

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Rocuronium price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Pharmacological actions

  • Neuromuscular Nondepolarizing Agents

Roles

  • aetiopathogenetic role
  • allergen
  • analgesic
  • antidote
  • antidote to organophosphate poisoning
  • antineoplastic agent
  • cardiovascular drug
  • drug allergen
  • muscle relaxant
  • neuromuscular agent
  • pharmaceutical
  • protective agent
  • renoprotective agent

Pharmacology

Rocuronium is a Nondepolarizing Neuromuscular Blocker. The physiologic effect of rocuronium is by means of Neuromuscular Nondepolarizing Blockade.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Rocuronium is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Rocuronium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Rocuronium, based on the data on this page

What is Rocuronium?

Rocuronium is a 5alpha-androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents. It has a role as a muscle relaxant, a neuromuscular agent and a drug allergen.

What is the CAS number of Rocuronium?

The CAS registry number of Rocuronium is 143558-00-3. Other or deprecated CAS numbers: 119302-91-9.

What is the molecular formula and weight of Rocuronium?

The molecular formula of Rocuronium is C32H53N2O4+ and its molar mass is 529.79 g/mol.

What is Rocuronium used for?

Known uses and roles of Rocuronium include cns agents in pharmaceuticals, aetiopathogenetic role, allergen, analgesic, antidote and 10 more.

Is Rocuronium hazardous?

No GHS hazard classification for Rocuronium is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Rocuronium?

Rocuronium is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Rocuronium?

CompoundList lists 16 suppliers of Rocuronium in China, United States, India, Hong Kong and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Rocuronium in India?

4 suppliers in India list Rocuronium on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Rocuronium?

Suppliers quote Rocuronium on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Rocuronium

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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