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Heterocyclic compounds

Isatidine

Also known as Retrorsine oxide, Retrorsine N-oxide, cis-Retronecic acid ester of retronecine-N-oxide

CAS 15503-86-3Formula C18H25NO7Molar mass 367.40 g/molEC 805-145-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard
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Isatidine chemical structure, C18H25NO7, CAS 15503-86-3
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Colorless prisms
Melting point
138 DEGdeg C (Decomp)
Solubility
Sol in water and ethanol, sparingly sol in non-polar solvents
HS code
293499
Category
Heterocyclic compounds
Illustrative photo, colourless crystals beside an amber glass bottle on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Isatidine?

Plain description, key identifiers and synonyms

Retrorsine oxide has been reported in Werneria nubigena, Senecio latifolius, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4Z,6R,7S,14S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
CAS number
15503-86-3 CAS number cross-checked
EC number
805-145-0
Molecular formula
C18H25NO7
UNII
51819GRV4U
InChIKey
IDIMIWQPUHURPV-BJODLBMNSA-N
InChI
InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19-/m1/s1
Canonical SMILES
CC=C1CC(C)C(O)(CO)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23
Isomeric SMILES
C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N@@+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C

Synonyms

  • Retrorsine oxide
  • Retrorsine N-oxide
  • cis-Retronecic acid ester of retronecine-N-oxide
  • Senecionan-11,16-dione, 12,18-dihydroxy-, 4-oxide
  • 12,18-Dihydroxysenecionan-11,16-dione-4-oxide
  • trans-15-Ethylidene-12beta-hydroxy-12alpha-hydroxymethyl-13beta-methylsenec-1-enine-4-oxide
  • RET-NO
  • (1R,4Z,6R,7S,14S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo(9.5.1.014,17)heptadec-11-ene-3,8-dione
  • Retrorsine, N-oxide
  • Retrorsine-N-oxide
  • 12,18-Dihydroxysenecionan-11,16-dione 4-oxide
  • 4-27-00-06664 (Beilstein Handbook Reference)
  • 15-Ethylidene-12beta-hydroxy-12alpha-hydroxymethyl- 13beta-methylsenec-1-enine-4-oxide, trans-

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
Colorless prismsexp.
Melting point
138 DEGdeg C (Decomp)exp.
Solubility
Sol in water and ethanol, sparingly sol in non-polar solventsexp.

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
367.40 g/molcalc.
Exact mass
367.1631 Dacalc.
LogP (octanol/water)
0.18calc.
Topological polar surface area
116.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
1calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
5calc.
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=C1CCCC(=O)OCC2=CCN3CCC(OC1=O)C23

C=C1CCCC(=O)OCC2=CCN3CCC(OC1=O)C23

3 rings, 20 atoms.

34 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

  • H300Fatal if swallowed.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (9)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Isatidine suppliers

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Isatidine 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

Some of the Senecio species in which isatidine occurs have been used as medicinal herbs. S. bupleuroids DC. is an ingredient of an African herbal remedy.

How it is made

Isatidine is not produced commercially.

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 Isatidine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Isatidine?

Retrorsine oxide has been reported in Werneria nubigena, Senecio latifolius, and other organisms.

What is the CAS number of Isatidine?

The CAS registry number of Isatidine is 15503-86-3.

What is the molecular formula and weight of Isatidine?

The molecular formula of Isatidine is C18H25NO7 and its molar mass is 367.40 g/mol.

What is Isatidine used for?

Some of the Senecio species in which isatidine occurs have been used as medicinal herbs. S. bupleuroids DC. is an ingredient of an African herbal remedy.

Is Isatidine hazardous?

Isatidine carries the GHS signal word "Danger". Main hazards: fatal if swallowed, 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 Isatidine?

Isatidine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isatidine?

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What is the price of Isatidine?

Suppliers quote Isatidine 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 Isatidine

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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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