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Cardiovascular and metabolic drugs

Cassaine

Also known as Nervocidine, 2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate, (Dodecahydro-7beta-hydroxy-1alpha,4bbeta,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)acetic acid 2-(dimethylamino)ethyl ester

CAS 468-76-8Formula C24H39NO4Molar mass 405.58 g/mol
1 supplier listed
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Cassaine chemical structure, C24H39NO4, CAS 468-76-8
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Glossy flakes from ether
Melting point
142.5 °C
Solubility
SOL IN METHANE, ETHANOL, ACETONE, ACETIC ACID, CHLOROFORM, ETHER, BENZENE
HS code
292219
Category
Cardiovascular and metabolic drugs
Illustrative photo, closed white HDPE bottles and amber jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Cassaine?

Plain description, key identifiers and synonyms

Cassaine is a tricyclic diterpenoid isolated from several plant species of the genus Erythrophleum. It has a role as an antihypertensive agent, a local anaesthetic, a cardiotonic drug, an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a poison and a plant metabolite. It is an organic hydroxy compound, a tertiary amino compound, an enoate ester and a tricyclic diterpenoid. It derives from a hydride of a podocarpane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate
CAS number
468-76-8 CAS number cross-checked
Molecular formula
C24H39NO4
UNII
PQK203C49T
InChIKey
GMHWATCMBXIANN-IOJUAHGHSA-N
InChI
InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1
Canonical SMILES
CC1C(=CC(=O)OCCN(C)C)CCC2C1C(=O)CC1C(C)(C)C(O)CCC21C
Isomeric SMILES
C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CC[C@@H](C([C@@H]3CC2=O)(C)C)O)C

Synonyms

  • Nervocidine
  • 2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate
  • (Dodecahydro-7beta-hydroxy-1alpha,4bbeta,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)acetic acid 2-(dimethylamino)ethyl ester
  • (E)-3beta-Hydroxy-14alpha-methyl-7-oxopodocarpane-delta13alpha-acetic acid 2-(dimethylamino)-ethyl ester
  • Podocarpane-delta(13,alpha)-acetic acid, 3beta-hydroxy-14alpha-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, (E)-
  • 2-(dimethylamino)ethyl (2E)-2-((1R,4aS,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate
  • 2-(Dimethylamino)ethyl (2E)-((1R,4aS,4bR,7S,8aR,10aS)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)acetate
  • (+)-cassaine
  • (-)-Cassaine
  • Acetic acid, ((1R,4as,4br,7S,8ar,10as)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, (2E)-
  • (2E)-((1R,4as,4br,7S,8ar,10as)-dodecahydro-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-2(1H)-phenanthrenylidene)acetic acid 2-(dimethylamino)ethyl ester
  • 2-(dimethylamino)ethyl (2E)-[(13E)-3beta-hydroxy-14alpha-methyl-7-oxopodocarpan-13-ylidene]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

Appearance
Glossy flakes from etherexp.
Melting point
142.5 °Cexp.
Solubility
SOL IN METHANE, ETHANOL, ACETONE, ACETIC ACID, CHLOROFORM, ETHER, BENZENEexp.

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
405.58 g/molcalc.
Exact mass
405.2879 Dacalc.
LogP (octanol/water)
3.46calc.
Topological polar surface area
66.84 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 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, C=C1CCC2C(C1)C(=O)CC1CCCCC12

C=C1CCC2C(C1)C(=O)CC1CCCCC12

3 rings, 16 atoms.

16 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.

Cassaine suppliers

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Where suppliers are based

1 supplier in 1 country

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Cassaine 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

Roles

  • anaesthetic
  • antihypertensive agent
  • cardiotonic drug
  • cardiovascular drug
  • enzyme inhibitor
  • eukaryotic metabolite
  • local anaesthetic
  • metabolite
  • pharmaceutical
  • plant metabolite
  • poison

How it is made

Extracted from the bark of erythrophleum guineense g don, leguminosae: dalma, helv chim acta 22, 1497 (1939).

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 Cassaine is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Cassaine?

Cassaine is a tricyclic diterpenoid isolated from several plant species of the genus Erythrophleum. It has a role as an antihypertensive agent, a local anaesthetic, a cardiotonic drug, an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a poison and a plant metabolite.

What is the CAS number of Cassaine?

The CAS registry number of Cassaine is 468-76-8.

What is the molecular formula and weight of Cassaine?

The molecular formula of Cassaine is C24H39NO4 and its molar mass is 405.58 g/mol.

What is Cassaine used for?

Known uses and roles of Cassaine include cardiovascular drugs in pharmaceuticals, cns agents in pharmaceuticals, anaesthetic, antihypertensive agent, cardiotonic drug and 8 more.

Is Cassaine hazardous?

No GHS hazard classification for Cassaine 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 Cassaine?

Cassaine is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cassaine?

CompoundList lists 1 supplier of Cassaine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cassaine?

Suppliers quote Cassaine 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 Cassaine

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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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