2-(6-Methoxy-2-naphthyl)propionic acid

Racemic naproxen · rac Naproxen · 2-(6-METHOXY-2-NAPHTHYL)PROPANOIC ACID · DL-NAPROXEN · dj-Naproxen · AKOS B006488 · (±)-Naproxen · (RS)-Naproxen

식별자 및 물리적 특성

CAS No.	23981-80-8
분자식	C14H14O3
평균 분자량	230.26 g/mol
단동위원소 질량	230.09429431 g/mol
SMILES	COc1ccc2cc(C(C)C(=O)O)ccc2c1
InChIKey	CMWTZPSULFXXJA-UHFFFAOYSA-N
PubChem CID	1302
ChEMBL	CHEMBL12952
ChEBI	CHEBI:91939
EC No.	245-969-2
DTXSID	DTXSID70860274

XLogP	3.3
극성 표면적	46.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	17
형식 전하	0
복잡도	277
의약품	Pharmaceuticals
녹는점	157°C
끓는 점	403.9±20.0 °C(Predicted)
밀도	1+-.0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	메탄올에 용해됨
pKa(산도 계수)	4.84±0.30(Predicted)
물리적 상태	Solid
색상	White to Light red to Green
주요 응용	소분자 약용
InChI	1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
InChIKey	CMWTZPSULFXXJA-UHFFFAOYSA-N
SMILES	O(C)c1cc2c(cc(cc2)C(C)C(=O)O)cc1

White Solid

GHS 분류	DangerH301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P308+P316, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보	Status: Cease Manufacture Update: 10-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5518
Hazard Classes and Categories	Acute Tox. 3 (66.7%)Acute Tox. 4 (100%)
수질 위해 등급(WGK)	WGK 3
운송 번호(UN)	2811
관세 코드	29189900
위험 문구(R)	36/37/38-36
안전 문구(S)	26-36/37/39-36
포장분류	III
위험 등급	6.1Acute Tox. 3 Oral
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

An anti-inflammatory, analgesic, antipyretic. A non-steroidal anti-inflammatory.