Crotamiton - CAS 483-63-6

Catalog:	BB026526
Product Name:	Crotamiton
CAS:	483-63-6
Synonyms:	N-Ethyl-o-crotonotoluidide; 2-Butenamide, N-ethyl-N-(2-methylphenyl)-; N-Ethyl-N-(2-methylphenyl)-2-butenamide; o-Crotonotoluidide, N-ethyl-; Crotalgin; Crotamitex; Crotamitone; Crotonyl N-ethyl-o-toluidine; Eurax; Euraxil; N-Crotonyl-N-ethyl-o-toluidine; Veteusan
Application:	An anti-parasitic agent

Technical Data

Related CAS:	124236-29-9 (E-isomer) 124236-30-2 (Z-isomer)
IUPAC Name:	N-ethyl-N-(2-methylphenyl)but-2-enamide
Description:	Crotamiton is a general antipruritic agent for treating scabies.
Molecular Weight:	203.28
Molecular Formula:	C13H17NO
Canonical SMILES:	CCN(C1=CC=CC=C1C)C(=O)C=CC
InChI:	InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3
InChI Key:	DNTGGZPQPQTDQF-UHFFFAOYSA-N
Boiling Point:	154°C
Melting Point:	<25°C
Flash Point:	115.5°C
Purity:	≥95%
Density:	1.014±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance:	Colourless to Light Brown Oily Matter
Storage:	Store at -20°C under inert atmosphere
MDL:	MFCD00026989
LogP:	2.92400
Quality Standard:	Enterprise Standard
Refractive Index:	n20/D 1.54(lit.)
Stability:	Stable at normal temperatures and pressures.

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
28927721	20180201	Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay	Toxicology in vitro : an international journal published in association with BIBRA
28612138	20171001	Transient receptor potential vanilloid 4 (TRPV4) channel as a target of crotamiton and its bimodal effects	Pflugers Archiv : European journal of physiology
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
23003104	20121017	Plant uptake of pharmaceutical chemicals detected in recycled organic manure and reclaimed wastewater	Journal of agricultural and food chemistry
22578794	20120901	Photocatalytic decomposition of crotamiton over aqueous TiO(2) suspensions: determination of intermediates and the reaction pathway	Chemosphere

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	203.131014166
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8