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Meclofenamate Sodium

HCID 4038
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
6385-02-0
표준 SMILES
Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.[Na+]
InChIKey
OGPIIGMUPMPMNT-UHFFFAOYSA-M
분자식
C14H10Cl2NNaO2
평균 분자량
318.1 g/mol
단동위원소 질량
316.9986282

개요

Sodium meclofenamate (anhydrous) is an organic sodium salt derived from meclofenamic acid. Its monohydrate is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. It contains a meclofenamic acid(1-).

이름 및 식별자

우선 이름
Meclofenamate Sodium
IUPAC
sodium 2-(2,6-dichloro-3-methylanilino)benzoate
영어명
MECLOFENAMATE SODIUM
분자식
C14H10Cl2NO2.Na
분자량
318.13

이름 및 동의어

MECLOFENAMATE SODIUM6385-02-0Meclofenamic acid sodiumSodium meclofenamateSodium 2-((2,6-dichloro-3-methylphenyl)amino)benzoateMeclonaxMECLODIUMDTXSID80455679MMQ0YER4Esodium 2-[(2,6-dichloro-3-methylphenyl)amino]benzoateDTXCID801476290Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, monosodium salt
이름 더 보기
Meclofenamateci583C02996MovensmeclomensodiummeclophenamateMECLOFENAMATESODIUM,USP
Meclofenamate Sodium AnhydrousCL-583.NA SALTNSC-757088Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, monosodium salt, monohydratesodium;2-(2,6-dichloro-3-methyl-anilino)benzoateMeclofenamate Sodium SaltRefChem:58588228-983-3

데이터베이스 식별자

CAS
6385-02-0
PubChem CID
4038
DTXSID
DTXSID8045567
ChEMBL

물성

구조 계산 물성

극성 표면적
52.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
20
형식 전하
0
복잡도
332

실험 및 물리화학적 성질

Solubility>47.7 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section157 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
287 · 287-291 °C
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
백색 고체.
색상
흰색에서 황백색까지
생물학적 소스
synthetic (organic)
수용성
50 mg/ml로 · 50mg/ml로 물에 용해됩니다. DMF, DMSO 또는 에탄올에도 용해됩니다.
Merck
14 · 14,5779
안정성
흡습성
주요 응용
제약
InChI
1S/C14H11Cl2NO2.Na.H/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;;/h2-7,17H,1H3,(H,18,19);;
InChIKey
CHGIZYUDGOIAFY-UHFFFAOYSA-N

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Meclofenamate sodium

Ambiguous-DILI-concern

3

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

wgk
3
rtecs
CB2975500
HS 번호
2922498050
기존화학 물질
KE-10153
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.

응용 분야 · 3건

개요Meclofenamate is a time-dependent, non-specific competitive inhibitor of COX-1 and -2. The IC50 values for inhibition of human recombinant COX-1 and -2 are 1.5 and 9.7 μM, respectively for instantaneous inhibition. However, the IC50 is much lower if pre-incubated with the enzyme.

용도Meclofenamate Sodium is an NSAID used in the treatment of chronic pain.

일반 설명Meclofenamate sodium (Meclomen) is available for use inthe treatment of acute and chronic RA, OA, and primarydysmenorrhea. It is metabolized in a similar manner tomefenamic acid discussed above, thus a similar restriction isalso applied to meclofenamate. The most significant side effectsare GI, including diarrhea.

상·하류 제품 정보

상류 원료

2,6-디클로로-3-메틸아닐린에틸모르폴린

공급사68 곳

관련 반응

2건
반응 기록 만들기
HRID 465972 반응식
HRID 465972반응물로uspto-grants-1992_10
HRID 2211166 반응식
HRID 2211166반응물로uspto-grants-1995_10

화합물 노트

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CHEMBL1562610、CHEMBL876
ChEBI
CHEBI:6711
UNII
9MMQ0YER4E
EC Number
228-983-3
Nikkaji
J8.403D
SMILES
[Na].Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
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추가 설명

정의ChEBI: An organic sodium salt derived from meclofenamic acid. Its monohydrate is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.