Chelerythrine Chloride, 98.86%

Name: Chelerythrine Chloride
Brand: Chempure

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CAS Number

3895-92-9

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IUPAC name	1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
inchi	InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
inchi key	WEEFNMFMNMASJY-UHFFFAOYSA-M
molecular formula	C21H18NO4.Cl
synonyms	Chelerythrine chloride 3895-92-9 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride Chelerythrine hydrochloride C21H18ClNO4
Compound Description	Chelerythrine chloride is a benzophenanthridine alkaloid.

Computed Properties

Molecular Weight:	383.8 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	2
Exact Mass:	383.0924357 g/mol
Monoisotopic Mass:	383.0924357 g/mol
Topological Polar Surface Area:	40.8 Å²
Heavy Atom Count:	27
Formal Charge:	0
Complexity:	516
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (95.2%) Acute Tox. 4 (92.9%) Skin Irrit. 2 (97.6%) Eye Irrit. 2 (97.6%) STOT SE 3 (95.2%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (92.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (92.9%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
inchi	InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
inchi key	WEEFNMFMNMASJY-UHFFFAOYSA-M
molecular formula	C21H18NO4.Cl
synonyms	Chelerythrine chloride 3895-92-9 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride Chelerythrine hydrochloride C21H18ClNO4
Compound Description	Chelerythrine chloride is a benzophenanthridine alkaloid.

Computed Properties

Molecular Weight:	383.8 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	2
Exact Mass:	383.0924357 g/mol
Monoisotopic Mass:	383.0924357 g/mol
Topological Polar Surface Area:	40.8 Å²
Heavy Atom Count:	27
Formal Charge:	0
Complexity:	516
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (95.2%) Acute Tox. 4 (92.9%) Skin Irrit. 2 (97.6%) Eye Irrit. 2 (97.6%) STOT SE 3 (95.2%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (92.9%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (92.9%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AS0724

Chelerythrine Chloride, 98.86%

Product No: AS0724

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AS0724

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?