Actarit

Orcl · ms932 · Mover · FAM79A · TPRG1L · ACTARIT · Ake him · Aktalin

https://huagongshe.com/en/chemical/2018

Identifiers & Physical Properties

CAS No.	18699-02-0
Molecular formula	C10H11NO3
Average molar mass	193.2 g/mol
Monoisotopic mass	193.07389321 g/mol
SMILES	CC(=O)Nc1ccc(CC(=O)O)cc1
InChIKey	MROJXXOCABQVEF-UHFFFAOYSA-N
PubChem CID	2018
ChEMBL	CHEMBL1885632
ChEBI	CHEBI:31173
EC No.	242-511-3
DTXSID	DTXSID0020020

Chemical & Physical Properties

XLogP	0.8
Topological polar surface area	66.4
Hydrogen bond donors	2
Hydrogen bond acceptors	3
Rotatable bonds	3
Heavy atoms	14
Formal charge	0
Complexity	219
Drugs	Pharmaceuticals -> Metabolite of Mirabegron
Solubility	>29 [ug/mL] (The mean of the results at pH 7.4)DMSO, Ethanol, Methanol
Collision Cross Section	143.5 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0020020]
Melting point	173-175°C
Boiling point	449.1±28.0 °C(Predicted)
Density	1.288±0.06 g/cm3(Predicted)
Storage conditions	Sealed in dry,Room Temperature
Physical state	Solid
pKa (acidity coefficient)	4.34±0.10(Predicted)
Color	White to Off-White
Merck	14,133
CAS DataBase Reference	18699-02-0(CAS DataBase Reference)
FDA UNII	HW5B6351RZ
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P261-P305+P351+P338
Safety statements (S)	24/25
RTECS number	CY1542000
Customs code	29163990
Toxicity	LD50 in male, female mice, male, female rats (mg/kg): 1.06, 1.30, 1.95, 2.03 i.p.5.68, 5.48, 5.48, 6.12 s.c.15.3, 14.7, 14.8, 15.4 orally (Toshida)

Safety & Regulations

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
RTECS number	CY1542000
Customs code	29163990
Toxicity	LD50 in male, female mice, male, female rats (mg/kg): 1.06, 1.30, 1.95, 2.03 i.p.5.68, 5.48, 5.48, 6.12 s.c.15.3, 14.7, 14.8, 15.4 orally (Toshida)
Signal word	Warning
GHS pictogram	GHS07
Safety statements (S)	24/25
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P261-P305+P351+P338

Applications & Uses

Description

Actarit is an orally administered disease-modifying antirheumatic drug launched in Japan. Although its structure resembles that of non-steroidal anti-inflammatory drugs, it has no effect on experimental acute inflammation and has no analgesic or antipyretic effects. Its preventative and therapeutic effects on adjuvant arthritis are mediated via modulation of production and serum level of interleukin-2 which enhances production of suppressor T-cells to the immune system, thereby, preventing development of articular lesions.

Uses

Antiarthritic

Uses

Chronic rheumatoid arthritis