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Impurities and reference standards

Dacuronium

Also known as 17-Hydroxypancuronium, Dacuronium ion, Dacuronium cation

CAS 43021-45-0Formula C33H58N2O3+2Molar mass 530.84 g/mol
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Dacuronium chemical structure, C33H58N2O3+2, CAS 43021-45-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
43021-45-0
Formula
C33H58N2O3+2
Molar mass
530.84 g/mol
HS code
293339
Category
Impurities and reference standards

What is Dacuronium?

Plain description, key identifiers and synonyms

Dacuronium is a chemical substance with the molecular formula C33H58N2O3+2 and a molar mass of 530.84 g/mol. Its CAS registry number is 43021-45-0. 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.

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
CAS number
43021-45-0Other or deprecated CAS: 27115-86-2
Molecular formula
C33H58N2O3+2
UNII
VD6L56ZVX1
InChIKey
XQFBAGUGBNQLRT-ZZZJANDJSA-N
InChI
InChI=1S/C33H58N2O3/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/q+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
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

Synonyms

  • 17-Hydroxypancuronium
  • Dacuronium ion
  • Dacuronium cation
  • Piperidinium, 3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis-(1-methyl-
  • 2 beta,16 beta-dipiperidino-5 alpha-androstane-17 beta-diol 3 alpha-acetato dimethobromide
  • Androstane, piperidinium deriv.
  • 1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium)
  • Pancuronium Bromide EP Impurity A (Dibromide Salt)
  • 3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis-(1-methylpiperidinium) 3-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
530.84 g/molcalc.
Exact mass
530.4436 Dacalc.
LogP (octanol/water)
5.54calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
38calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
Formal charge
2calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (2 violations)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

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.

Dacuronium suppliers

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Dacuronium 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

Pharmacological actions

  • Neuromuscular Nondepolarizing Agents

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 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 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Dacuronium?

Dacuronium is a chemical substance with the molecular formula C33H58N2O3+2 and a molar mass of 530.84 g/mol. Its CAS registry number is 43021-45-0.

What is the CAS number of Dacuronium?

The CAS registry number of Dacuronium is 43021-45-0. Other or deprecated CAS numbers: 27115-86-2.

What is the molecular formula and weight of Dacuronium?

The molecular formula of Dacuronium is C33H58N2O3+2 and its molar mass is 530.84 g/mol.

What is Dacuronium used for?

Known uses and roles of Dacuronium include neuromuscular nondepolarizing agents.

Is Dacuronium hazardous?

No GHS hazard classification for Dacuronium 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 Dacuronium?

Dacuronium 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?

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

What is the price of Dacuronium?

Suppliers quote Dacuronium 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

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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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