CAS 1246213-23-9 N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (HCID 46897962)

기본 정보

CAS: 1246213-23-9
표준 SMILES: CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O
InChIKey: HFNOECBPRSJRQD-UHFFFAOYSA-N
분자식: C24H28N2O4
평균 분자량: 408.5 g/mol
단동위원소 질량: 408.20490738

이름 및 식별자

우선 이름: N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
IUPAC: N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
영어명: 3-QuinolinecarboxaMide, N-[2-(1,1-diMethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-diMethylethyl)phenyl]-1,4-dihydro-4-oxo-
분자식: C24H28N2O4
분자량: 408.49

이름 및 동의어

N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamideRefChem:824856813-170-31246213-23-9Hydroxymethyl IvacaftorHydroxymethyl-ivacaftorIvacaftor (m1)6F3NVS9Y38VRT-8370183-Quinolinecarboxamide, N-(2-(1,1-dimethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-dimethylethyl)phenyl)-1,4-dihydro-4-oxo-N-(2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamideN-[2-(1,1-Dimethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-dimethylethyl)phenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide

이름 더 보기

Ivacaftor Impurity 2IvacaftorImpurity2-d6Ivacaftor Hydroxy MetaboliteIvacaftor Hydroxymethyl Impurity3-QuinolinecarboxaMide, N-[2-(1,1-diMethylethyl)-5-hydroxy-4-(2-hydroxy-1,1-diMethylethyl)phenyl]-1,4-dihydro-4-oxo-Hydroxymethyl IvacaftorQ: What is Hydroxymethyl Ivacaftor Q: What is the CAS Number of Hydroxymethyl Ivacaftor Q: What is the storage condition of Hydroxymethyl Ivacaftor Q: What are the applications of Hydroxymethyl Ivacaftor

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 98.7 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 30
형식 전하: 0
복잡도: 694

물리화학적 성질

용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 연한 노란색에서 밝은 녹색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.