CompoundList
Sign in
Impurities and reference standards

Dacuronium bromide

Also known as Bromuro de dacuronio, Bromure de dacuronium, Dacuronii bromidum

CAS 27115-86-2Formula C33H58Br2N2O3Molar mass 690.65 g/molEC 248-233-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant
Get quotes Safety data
Dacuronium bromide chemical structure, C33H58Br2N2O3, CAS 27115-86-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
27115-86-2
Formula
C33H58Br2N2O3
Molar mass
690.65 g/mol
EC number
248-233-9
HS code
293339
Category
Impurities and reference standards

What is Dacuronium bromide?

Plain description, key identifiers and synonyms

Dacuronium bromide is a chemical substance with the molecular formula C33H58Br2N2O3 and a molar mass of 690.65 g/mol. Its CAS registry number is 27115-86-2. The IUPAC name is [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
CAS number
27115-86-2 CAS number cross-checked
EC number
248-233-9
Molecular formula
C33H58Br2N2O3
UNII
33482245B6
InChIKey
SUKULMJPMHYWKC-GMMLHHOXSA-L
InChI
InChI=1S/C33H58N2O3.2BrH/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1
Canonical SMILES
CC(=O)OC1CC2CCC3C(CCC4(C)C(O)C([N+]5(C)CCCCC5)CC34)C2(C)CC1[N+]1(C)CCCCC1.[Br-].[Br-]
Isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C.[Br-].[Br-]

Synonyms

  • Bromuro de dacuronio
  • Bromure de dacuronium
  • Dacuronii bromidum
  • NB 68
  • Pancuronium Bromide EP Impurity A
  • 2-beta, 16-beta-Dipiperidino-5-alpha-androstan-3-alpha,17-beta-diol 3-acetate dimethobromide
  • 3-alpha-Acetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstan-17-beta-ol dimethobromide
  • 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, 3alpha-acetate
  • 1,1'-((2bea,3alpha,5alpha,16beta,17beta)-3-(Acetyloxy)-17-hydroxyandrostane-2,16-diyl)bis(1-methylperidinium)dibromide
  • Pancuronium bromide impurity a
  • 1,1'-[3alpha-(acetyloxy)-17beta-hydroxy-5alpha-androstane-2beta,16beta-diyl]bis(1-methyl-piperidinium) dibromide
  • 3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis-(1-methylpiperidinium)dibromide 3-acetate
  • Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, 3-alpha-acetate

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
690.65 g/molcalc.
Exact mass
688.2814 Dacalc.
LogP (octanol/water)
-0.45calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
40calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
3calc.
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(C2CCC3CCC4C5CC(N6CCCCC6)CC5CCC4C3C2)CC1

C1CCN(C2CCC3CCC4C5CC(N6CCCCC6)CC5CCC4C3C2)CC1

6 rings, 29 atoms.

45 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H331Toxic if inhaled.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Dacuronium bromide suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Dacuronium bromide can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Dacuronium bromide price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Dacuronium bromide, based on the data on this page

What is Dacuronium bromide?

Dacuronium bromide is a chemical substance with the molecular formula C33H58Br2N2O3 and a molar mass of 690.65 g/mol. Its CAS registry number is 27115-86-2.

What is the CAS number of Dacuronium bromide?

The CAS registry number of Dacuronium bromide is 27115-86-2.

What is the molecular formula and weight of Dacuronium bromide?

The molecular formula of Dacuronium bromide is C33H58Br2N2O3 and its molar mass is 690.65 g/mol.

Is Dacuronium bromide hazardous?

Dacuronium bromide carries the GHS signal word "Danger". Main hazards: harmful if swallowed, harmful in contact with skin, toxic if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dacuronium bromide?

Dacuronium bromide is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dacuronium bromide?

Post a free request on CompoundList and suppliers of Dacuronium bromide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dacuronium bromide?

Suppliers quote Dacuronium bromide 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 Dacuronium bromide

Get quotes for Dacuronium bromide

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Dacuronium bromide
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Dacuronium bromide with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/dacuronium-bromide-27115-86-2" title="Dacuronium bromide structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Impurities and reference standards or HS code 293339

Price on request
Free quotes, contact stays private
Get quotes