(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

C21H22N2O2

CAS57-24-9
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

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Identification

CAS Number
57-24-9
EC Number
200-319-7
UN Number
1692
Index Number
614-003-00-5
PubChem CID
441071

Physical-chemical properties

Molecular Formula
C21H22N2O2
Molar Mass
334.40 g/mol
IUPAC Name
(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Chemical Identifiers

InChI
InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChI Key
QMGVPVSNSZLJIA-FVWCLLPLSA-N

Overview

(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one (CAS 57-24-9) is a complex heterocyclic alkaloid compound with highly toxic properties and significant pharmaceutical applications. This intricate polycyclic molecule, with molecular formula C21H22N2O2 and molecular weight 334.4 g/mol, represents one of the most structurally complex natural alkaloids known to chemistry. The compound features multiple fused ring systems including indole, quinoline, and oxepine moieties, creating a rigid three-dimensional structure that contributes to its biological activity. Its stereochemistry is precisely defined by six chiral centers, making it a challenging target for synthetic chemistry and emphasizing the importance of obtaining pure, well-characterized material. The safety profile of this compound demands extreme caution, classified under acute toxicity categories 1 and 2 with danger signal word and GHS06/GHS09 pictograms. Its high toxicity extends to aquatic environments, requiring specialized handling protocols and proper waste management procedures. The ADR class 6.1 classification necessitates careful consideration of transportation and storage requirements. In pharmaceutical research, this alkaloid serves as a crucial starting material for developing therapeutic agents, particularly in oncology applications. The compound also finds use in biochemical research as a molecular probe for studying cellular mechanisms. Additionally, it serves as a reference standard in analytical chemistry laboratories. Unlike related organophosphorus compounds such as diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane, this alkaloid's complex natural structure offers unique binding properties that make it valuable for specialized applications. OYSI provides this high-purity compound to qualified research institutions and pharmaceutical companies across Europe, ensuring proper documentation and compliance with all regulatory requirements.

Safety & Classification

Danger
Classification:

Acute Tox. 1; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Fatal

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Fatal

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number1692
ADR Class6.1
Packing GroupI
Tunnel CodeC/E
Proper Shipping NameStrychnin
Marine PollutantNo

Frequently Asked Questions

What is (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

This substance is strychnine, a highly toxic alkaloid with the molecular formula C21H22N2O2 and molecular weight of 334.4 g/mol. It is classified as an extremely hazardous chemical compound with acute toxicity class 1 and 2, requiring strict safety protocols. The complex IUPAC name reflects its intricate tetracyclic structure. This substance poses significant risks to human health and aquatic environments, classified under GHS pictograms GHS06 (skull and crossbones) and GHS09 (environmental hazard).

What are the physicochemical properties of (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

This compound typically appears as white crystalline solid at room temperature with a bitter taste. It exhibits limited water solubility but dissolves readily in organic solvents such as chloroform and benzene. The molecular structure contains multiple ring systems contributing to its stability and biological activity. Due to its alkaloid nature, it demonstrates specific optical rotation properties. The substance's physicochemical characteristics directly influence its high toxicity profile and environmental persistence, requiring specialized handling procedures.

What is (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one used for?

This substance is primarily used in specialized research applications and analytical chemistry as a reference standard. Its applications are severely restricted due to its extreme toxicity profile (Acute Tox. 1 classification). Historically utilized in rodent control, modern usage is limited to legitimate scientific research, forensic analysis, and pharmaceutical development under strict regulatory oversight. Any commercial or industrial application requires specific licensing and adherence to stringent safety protocols due to its dangerous classification.

How to safely handle (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

This substance requires maximum safety precautions due to its Acute Tox. 1 classification and 'Danger' signal word. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Avoid skin contact, inhalation, and ingestion completely. Work in designated areas with emergency shower and eyewash facilities readily accessible. Handle only minimum quantities necessary and ensure trained personnel conduct all operations following strict protocols to prevent accidental exposure.

How to properly store (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

This compound must be stored in secure, locked facilities with restricted access due to its extreme toxicity. Storage requires cool, dry conditions away from light, incompatible materials, and heat sources. Use appropriate chemical-resistant containers with clear hazard labeling including GHS06 and GHS09 pictograms. Implement inventory control systems and ensure compliance with local regulations for highly toxic substances. Storage areas should have appropriate ventilation, spill containment measures, and emergency response equipment readily available.

What to do in case of contact with (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

Immediate medical attention is critical due to this substance's Acute Tox. 1 classification. For skin contact, remove contaminated clothing and flush affected area with copious water for at least 15 minutes. If inhaled, move to fresh air immediately and provide artificial respiration if needed. For eye contact, irrigate with clean water for 15 minutes minimum. Never induce vomiting if ingested. Contact emergency services immediately and provide safety data sheet information to medical personnel for appropriate treatment protocols.

How to properly dispose of (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

This substance requires specialized hazardous waste disposal through licensed facilities due to its acute toxicity and environmental classification (Aquatic Acute 1, Aquatic Chronic 1). Standard waste disposal methods are strictly prohibited. Contact certified hazardous waste contractors for proper collection and treatment. Maintain detailed disposal documentation for regulatory compliance. Small quantities may require neutralization or chemical treatment before disposal, following specific protocols. Never dispose through regular waste streams or sewage systems due to severe environmental risks.

How to transport (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one?

This substance is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating maximum transport restrictions. Transportation requires specialized dangerous goods packaging, proper hazard labeling, and documentation including transport emergency cards. Only certified dangerous goods transporters may handle shipments. Packaging must meet UN specification standards for highly toxic materials. Vehicle placarding, driver certification, and emergency response information are mandatory. Routes may be restricted, and advance notifications to authorities might be required depending on quantities and jurisdictions.

Is (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one subject to specific regulations?

This substance is subject to extensive regulatory oversight under REACH, CLP, and national chemical control legislation due to its extreme toxicity profile. While not currently listed as SVHC (Substance of Very High Concern), its Acute Tox. 1 classification triggers strict registration and notification requirements. Import/export may require specific permits, and usage is restricted to qualified professionals in controlled environments. Regular safety reporting, exposure assessments, and risk management measures are mandatory for commercial handlers under European chemical safety regulations.

Where to buy (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one in Europe?

OYSI serves as a specialized European distributor for this highly regulated chemical compound, providing comprehensive regulatory compliance and safety documentation. Due to the substance's extreme toxicity classification (Acute Tox. 1), procurement requires verification of legitimate research or analytical purposes, appropriate licensing, and adherence to strict safety protocols. OYSI ensures proper packaging, hazard communication, and regulatory compliance throughout the European market. Contact OYSI's technical team for availability, regulatory requirements, and safety consultation for your specific application needs.

Services for (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

ADR Consulting for (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.