Monocrotaline N-Oxide - ≥95% , CAS No.35337-98-5

CAS: 35337-98-5 Cat. No.: M333418 Molecular Weight: 341.36 EC Number: 636-880-3 PubChem CID: 197173

COA

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Monocrotaline N-Oxide - ≥95% CAS No(35337-98-5) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Monocrotaline N-Oxide, a monocrotaline metabolite, leads to DNA adduct formation in vivo

Specifications

Synonyms

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid	504757788
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757788
Canonical Smiles	CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]
IUPAC Name	5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
InChIKey	LHVAZUAALQTANZ-UHFFFAOYSA-N
INCHI	1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3
Isomeric SMILES	CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]
PubChem CID	197173
Molecular Weight	341.36

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolizines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolizines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolizines
Alternative Parents	Dicarboxylic acids and derivatives N-alkylpyrrolidines Trialkyl amine oxides Pyrrolines Tertiary alcohols 1,2-diols Lactones Carboxylic acid esters Trisubstituted amine oxides and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Pyrrolizine - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Pyrroline - Trialkyl amine oxide - Tertiary alcohol - 1,2-diol - Carboxylic acid ester - Lactone - Trisubstituted n-oxide - Carboxylic acid derivative - N-oxide - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic zwitterion - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolizines. These are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
F2317086	Certificate of Analysis	Apr 02, 2026	M333418
F2317087	Certificate of Analysis	Apr 02, 2026	M333418
F2317089	Certificate of Analysis	Apr 02, 2026	M333418
F2317193	Certificate of Analysis	Apr 02, 2026	M333418

Solubility	DMSO:3.41 mg/ml (10 mM),Need ultrasonic
Sensitivity	Moisture sensitive
Melt Point(°C)	>150° C (dec.)
Molecular Weight	341.360 g/mol
XLogP3	-1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	341.147 Da
Monoisotopic Mass	341.147 Da
Topological Polar Surface Area	111.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	620.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1