Actarit

HCID 2018CAS 18699-02-0
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Basic information

Standard SMILES
CC(=O)Nc1ccc(CC(=O)O)cc1
InChIKey
MROJXXOCABQVEF-UHFFFAOYSA-N
Molecular formula
C10H11NO3
Average molar mass
193.2 g/mol
Monoisotopic mass
193.07389321

Overview

Actarit is an anilide and a member of acetamides.

Names & identifiers

Preferred name
Actarit
IUPAC
2-(4-acetamidophenyl)acetic acid
English name
Actarit
Molecular formula
C10H11NO3
Molecular weight
193.2

Names & synonyms

actarit18699-02-04-Acetylaminophenylacetic acidOrcl(p-Acetamidophenyl)acetic acid4-(Acetylamino)benzeneacetic acidActaritumMS-932Mirabegron (m9)DTXSID0020020YM-340790NSC-170317
Show more names
ms932MoverFAM79ATPRG1LAke himAktalinMirabegron M9Protein FAM79A
HW5B6351RZDTXCID2020RefChem:552888242-511-32-(4-acetamidophenyl)acetic acid[4-(acetylamino)phenyl]acetic acidBenzeneacetic acid, 4-(acetylamino)-4-Acetamidophenylacetic acid

Database identifiers

CAS
18699-02-0
PubChem CID
2018
DTXSID
DTXSID0020020
ChEMBL
CHEMBL1885632
ChEBI
CHEBI:31173
UNII
HW5B6351RZ
EC Number
242-511-3
Nikkaji
J70.929H

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Mirabegron
Solubility>29 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section143.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0020020]

Physicochemical properties

Melting point
173 · 173-175°C
Boiling point
449.1 · 449.1±28.0 °C(Predicted)
Density
1.288 · 1.288±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
DMSO, Ethanol, Methanol
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (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 information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

rtecs
CY1542000
hs_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
Symbol(GHS)
GHS07
safety_code
24/25

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationDrugs that are used to treat RHEUMATOID ARTHRITIS.
Applications · 3 items

DescriptionActarit 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.

UsesAntiarthritic

UsesChronic rheumatoid arthritis

Upstream & downstream products

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]

Additional notes

DefinitionChEBI: Actarit is an anilide and a member of acetamides.

Related reactions

12 records
New reaction record

Linked notes

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