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Impurities and reference standards

Org 9943

Also known as Org-9943, Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide, 17-Desacetyl Rocuronium

CAS 119302-86-2Formula C30H51BrN2O3Molar mass 567.65 g/molEC 806-463-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Org 9943 chemical structure, C30H51BrN2O3, CAS 119302-86-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
119302-86-2
Formula
C30H51BrN2O3
Molar mass
567.65 g/mol
EC number
806-463-2
HS code
293729
Category
Impurities and reference standards

What is Org 9943?

Plain description, key identifiers and synonyms

17-Desacetyl-rocuronium is a 3-hydroxy steroid. It has a role as an androgen.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(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
CAS number
119302-86-2 CAS number cross-checked
EC number
806-463-2
Molecular formula
C30H51BrN2O3
UNII
1UGT518V8L
MDL number
MFCD19705082
InChIKey
KJLODZNGZVUFDC-DSBFZBMTSA-M
InChI
InChI=1S/C30H51N2O3.BrH/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34;/h4,21-28,33-34H,1,5-20H2,2-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1
Canonical SMILES
C=CC[N+]1(C2CC3C4CCC5CC(O)C(N6CCOCC6)CC5(C)C4CCC3(C)C2O)CCCC1.[Br-]
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C.[Br-]

Synonyms

  • Org-9943
  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide
  • 17-Desacetyl Rocuronium
  • 17-Desacetyl Rocuronium Bromide
  • Rocuronium Bromide EP Impurity C
  • Rocuronium EP Impurity C
  • Pyrrolidinium, 1-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1)
  • 17-Desacetyl-rocuronium
  • C30H51BrN2O3
  • Desacetylrocuronium bromide
  • 17-Desacetylrocuronium bromide
  • 1-((3,17-Dihydroxy)-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)pyrrolidinium
  • 2-(Morpholin-4-yl)-16-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]androstane-3,17-diol bromide
  • 2beta-(Morpholin-4-yl)-16beta-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5alpha-androstane-3alpha,17beta-diol bromide
  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17.beta.)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propen-1-yl)-, bromide (1:1)
  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17.beta.)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide
  • Pyrrolidinium, 1-[(2|A,3|A,5|A,16|A,17|A)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1)

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
567.65 g/molcalc.
Exact mass
566.3083 Dacalc.
LogP (octanol/water)
0.84calc.
Topological polar surface area
52.93 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
36calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
2calc.
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

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
Precautionary statements (18)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • 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.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • 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.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all 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

Org 9943 suppliers

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Org 9943 price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • agonist
  • androgen
  • hormone
  • molecular messenger
  • sex hormone

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 Org 9943 is traded under.

HS 2937.29Indicative HS code

Steroidal hormones, their derivatives and structural analogues, other

World exports in 2024
$2.32B
+5.7% vs 2023, imports $2.41B
2019 to 2024
Top exporters
  1. Belgium25.3%
  2. United States24.9%
  3. China13.0%
Top importers
  1. Italy18.0%
  2. Canada13.0%
  3. Belgium12.2%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Org 9943 is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Org 9943, based on the data on this page

What is Org 9943?

17-Desacetyl-rocuronium is a 3-hydroxy steroid. It has a role as an androgen.

What is the CAS number of Org 9943?

The CAS registry number of Org 9943 is 119302-86-2.

What is the molecular formula and weight of Org 9943?

The molecular formula of Org 9943 is C30H51BrN2O3 and its molar mass is 567.65 g/mol.

What is Org 9943 used for?

Known uses and roles of Org 9943 include agonist, androgen, hormone, molecular messenger and sex hormone.

Is Org 9943 hazardous?

Org 9943 carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Org 9943?

Org 9943 is usually classified under HS code 293729 (Steroidal hormones, their derivatives and structural analogues, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Org 9943?

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What is the price of Org 9943?

Suppliers quote Org 9943 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

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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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