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Impurities and reference standards

Piperidinyl rocuronium

Also known as Rocuronium bromide impurity E, 1-((2beta,3alpha,5alpha,16beta,17.beta.)-17-(acetyloxy)-3-hydroxy-2-(1-pyrrolidinyl)androstan-16-yl)-1-(2-propen-1-yl)pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-17-(Acetyloxy)-3-hydroxy-2-(1-pyrrolidinyl)androstan-16-yl)-1-(2-propen-1-yl)pyrrolidinium

CAS 942983-83-7Formula C32H53N2O3+Molar mass 513.79 g/mol
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Piperidinyl rocuronium chemical structure, C32H53N2O3+, CAS 942983-83-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
942983-83-7
Formula
C32H53N2O3+
Molar mass
513.79 g/mol
HS code
293399
Category
Impurities and reference standards

What is Piperidinyl rocuronium?

Plain description, key identifiers and synonyms

Piperidinyl rocuronium is a chemical substance with the molecular formula C32H53N2O3+ and a molar mass of 513.79 g/mol. Its CAS registry number is 942983-83-7. The IUPAC name is [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.

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-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-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
942983-83-7
Molecular formula
C32H53N2O3+
UNII
C1QY4G1ZL6
InChIKey
LBWBPSXAJLSPRH-OOJCLDBCSA-N
InChI
InChI=1S/C32H53N2O3/c1-5-16-34(17-8-9-18-34)28-20-26-24-11-10-23-19-29(36)27(33-14-6-7-15-33)21-32(23,4)25(24)12-13-31(26,3)30(28)37-22(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(N6CCCC6)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)N5CCCC5)C)C)[N+]6(CCCC6)CC=C

Synonyms

  • Rocuronium bromide impurity E
  • 1-((2beta,3alpha,5alpha,16beta,17.beta.)-17-(acetyloxy)-3-hydroxy-2-(1-pyrrolidinyl)androstan-16-yl)-1-(2-propen-1-yl)pyrrolidinium
  • 1-((2beta,3alpha,5alpha,16beta,17beta)-17-(Acetyloxy)-3-hydroxy-2-(1-pyrrolidinyl)androstan-16-yl)-1-(2-propen-1-yl)pyrrolidinium
  • 1-(17beta-(acetyloxy)-3alpha-hydroxy-2beta-(pyrrolidin-1-yl)-5alpha-androstan-16beta-yl)-1-(prop-2-enyl)pyrrolidinium
  • 1-(17beta-acetoxy-3alpha-hydroxy-2beta-(pyrrolidin-1-yl)-5alpha-androstan-16beta-yl)-1-(prop-2-enyl)pyrrolidinium
  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17.beta.)-17-(acetyloxy)-3-hydroxy-2-(1-pyrrolidinyl)androstan-16-yl)-1-(2-propen-1-yl)-
  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-(1-pyrrolidinyl)androstan-16-yl)-1-(2-propen-1-yl)-

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
513.79 g/molcalc.
Exact mass
513.4051 Dacalc.
LogP (octanol/water)
5.17calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
37calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
1calc.
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(N6CCCC6)CC5CCC4C3C2)C1

C1CCN(C2CCC3CCC4C5CC(N6CCCC6)CC5CCC4C3C2)C1

6 rings, 27 atoms.

8 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.

Piperidinyl rocuronium suppliers

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Piperidinyl 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

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 Piperidinyl rocuronium is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Piperidinyl rocuronium, based on the data on this page

What is Piperidinyl rocuronium?

Piperidinyl rocuronium is a chemical substance with the molecular formula C32H53N2O3+ and a molar mass of 513.79 g/mol. Its CAS registry number is 942983-83-7.

What is the CAS number of Piperidinyl rocuronium?

The CAS registry number of Piperidinyl rocuronium is 942983-83-7.

What is the molecular formula and weight of Piperidinyl rocuronium?

The molecular formula of Piperidinyl rocuronium is C32H53N2O3+ and its molar mass is 513.79 g/mol.

Is Piperidinyl rocuronium hazardous?

No GHS hazard classification for Piperidinyl 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 Piperidinyl rocuronium?

Piperidinyl rocuronium is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Piperidinyl rocuronium?

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

What is the price of Piperidinyl rocuronium?

Suppliers quote Piperidinyl 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 Piperidinyl 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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