CompoundList
Ouabain chemical structure, C29H44O12, CAS 630-60-4
2D chemical structure

Key facts

What buyers check first

Appearance
Crystals from water
Melting point
200 ยฐC
Solubility
Slightly soluble in water
HS code
293890
Category
Cardiovascular and metabolic drugs
UN number
UN 1544
Illustrative photo, closed jumbo bulk bags in a warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Ouabain?

Plain description, key identifiers and synonyms

Ouabain is a steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na+/K+-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. It has a role as an anti-arrhythmia drug, a cardiotonic drug, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor, an ion transport inhibitor, an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a plant metabolite, an EC 2.3.3.1 [citrate (Si)-synthase] inhibitor and an EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor. It is an 11alpha-hydroxy steroid, a steroid hormone, an alpha-L-rhamnoside, a 14beta-hydroxy steroid, a cardenolide glycoside and a 5beta-hydroxy steroid. It is a conjugate acid of an ouabain(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS number
630-60-4 CAS number cross-checked
EC number
211-139-3
Molecular formula
C29H44O12
UNII
5ACL011P69
InChIKey
LPMXVESGRSUGHW-HBYQJFLCSA-N
InChI
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
Canonical SMILES
CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O

Synonyms

  • Ouabaine
  • Astrobain
  • Gratibain
  • Gratus strophanthin
  • Uabanin
  • Purostrophan
  • Acocantherin
  • Ouabagenin L-rhamnoside
  • Oubain
  • Ouabain anhydrous
  • Strophoperm
  • Quabain
  • Strophalen
  • Uabaina
  • Ouabagenin-L-rhamnosid
  • Strophantin-g
  • Rectobaina
  • Solufantina
  • Strophosan
  • G-Strophicor
  • Strophanthin G
  • Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,11alpha)-
  • 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11alpha,14,19-pentahydroxycard-20(22)-enolide
  • 3-(alpha-L-rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide
  • G Strophanthin
Show all 37 synonyms
  • Ouabaine arnaud
  • (1beta,3beta,5beta,11alpha)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxycard-20(22)-enolide
  • Acocantherin octahydrate
  • G-Strophanthin
  • Acocantherine
  • Kombetin
  • Strodival
  • Cardiac glycoside
  • Strophanthin-G
  • Card-20(22)-enolide, 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,11alpha)-
  • OBN
  • Ouabain, Octahydrate

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

Appearance
Crystals from waterexp.
Melting point
200 ยฐCexp.
Solubility
Slightly soluble in waterexp.

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
584.66 g/molcalc.
Exact mass
584.2833 Dacalc.
LogP (octanol/water)
-1.51calc.
Topological polar surface area
206.6 ร…ยฒcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
4calc.
Heavy atoms
41calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
15calc.
Lipinski rule of five
Fails (3 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, O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1

O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1

6 rings, 30 atoms.

167 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)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H331Toxic if inhaled.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (14)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • 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.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1544

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

Ouabain suppliers

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  • China, ChangzhouUnclaimed profile
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  • Germany, LorrachUnclaimed profile
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  • China, ChengduUnclaimed profile
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  • United Kingdom, ComptonUnclaimed profile
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  • China, GuangzhouUnclaimed profile
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  • China, WuhanUnclaimed profile
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  • Canada, ScarboroughUnclaimed profile
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  • Spain, BarcelonaUnclaimed profile
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Ouabain 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

Ouabain is a cardiac glycoside commonly used in the laboratory for electrophysiological experiments in cardiac myocytes.

Veterinary medication:.

Pharmacological actions

  • Cardiotonic Agents
  • Enzyme Inhibitors

Roles

  • anti-arrhythmia drug
  • biophysical role
  • cardiotonic drug
  • cardiovascular drug
  • enzyme inhibitor
  • eukaryotic metabolite
  • ion transport inhibitor
  • membrane transport modulator
  • metabolite
  • pharmaceutical
  • plant metabolite

How it is made

Obtained from the seeds of Strophanthus gratus ..., also occurs in Acokanthera ouabaio Cathel and other A. spp, Apocynaceae.

Derivation: From certain plants of the family Apocynaceae: Strophanthus spp. and the Acokanthera group of trees.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 614-025-00-5

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
โˆ’8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ouabain?

Ouabain is a steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na+/K+-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.

What is the CAS number of Ouabain?

The CAS registry number of Ouabain is 630-60-4.

What is the molecular formula and weight of Ouabain?

The molecular formula of Ouabain is C29H44O12 and its molar mass is 584.66 g/mol.

What is Ouabain used for?

Ouabain is a cardiac glycoside commonly used in the laboratory for electrophysiological experiments in cardiac myocytes. Veterinary medication:.

Is Ouabain hazardous?

Ouabain carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic if inhaled, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ouabain?

Ouabain is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters andโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ouabain?

CompoundList lists 19 suppliers of Ouabain in China, United States, Germany, United Kingdom and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ouabain?

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

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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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