Pranoprofen

2-(5H-Chromeno[2,3-b]pyridin-7-yl)propanoic acid · Niflan · Y 8004 · Cesflan · Oftalar · Pralofen · Praprofen · ranoprofen

식별자 및 물리적 특성

CAS No.	52549-17-4
분자식	C15H13NO3
평균 분자량	255.27 g/mol
단동위원소 질량	255.08954328 g/mol
SMILES	CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2
InChIKey	TVQZAMVBTVNYLA-UHFFFAOYSA-N
PubChem CID	4888
ChEMBL	CHEMBL367463
ChEBI	CHEBI:32040
EC No.	682-035-7
DTXSID	DTXSID1023497

XLogP	2.7
극성 표면적	59.4
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	19
형식 전하	0
복잡도	346
Endocrine Disruptors	Potential endocrine disrupting compound
녹는점	182-183°
끓는 점	398.5°C (rough estimate)
밀도	1.1654 (rough estimate)
굴절률	1.5500 (estimate)
저장 조건	2-8°C
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
pKa(산도 계수)	4.27±0.10(Predicted)
물리적 상태	가루
색상	흰색에서 베이지색
InChI	InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKey	TVQZAMVBTVNYLA-UHFFFAOYSA-N
SMILES	C(C1C=CC2OC3=NC=CC=C3CC=2C=1)(C)C(=O)O

Off-White Solid

GHS 분류	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)PranoprofenDILI PositiveDOI:10.1016/j.drudis.2019.09.022
수질 위해 등급(WGK)	WGK 1
RTECS 번호	DJ3100950
운송 번호(UN)	UN 2811 6.1 / PGIII
독성	LD50 in male mice, rats (mg/kg): 447.3, 87.3 orally (Edanaga)
기존화학 물질	KE-23489
위험 등급	Acute Tox. 3 Oral
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Pranoprofen is an anti-inflammatory used in ophthalmology.

Pranoprofen is an arylalkanoic acid and a non-steroidal anti-inflammatory drug.