Indacrinone

HCID 42266

기본 정보

CAS: 56049-88-8
표준 SMILES: CC1(c2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O
InChIKey: PRKWVSHZYDOZLP-UHFFFAOYSA-N
분자식: C18H14Cl2O4
평균 분자량: 365.2 g/mol
단동위원소 질량: 364.02691429

개요

Indacrinone is an orally active, indanone-based loop diuretic that consists of a racemic mixture. The (-) enantiomer is natriuretic, and the (+) enantiomer is uricosuric.

이름 및 식별자

우선 이름: Indacrinone
IUPAC: 2-[(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)oxy]acetic acid
영어명: [(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]acetic acid
분자식: C18H14Cl2O4
분자량: 365.21

이름 및 동의어

Indacrinone57296-63-6IndacrinonaIndacrinonumMK-196B926Y9U4QNDTXSID608666246,7-Dichloro-2-methyl-1-oxo-2-phenyl-5-indanyloxyacetic acidindacrinonRefChem:923379DTXCID50814891MK-286

이름 더 보기

Einecs 259-965-3[[6,7-Dichloro-2-methyl-2-phenyl-1-oxoindan-5-yl]oxy]acetic acid[(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]acetic acidAcetic acid, 2-[(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]-

259-965-356049-88-8Indacrinic acid(+/-)-Indacrinone2-[(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)oxy]acetic acidAcetic acid, ((2,3-dihydro-6,7-dichloro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy)-, (+-)-Indacrinonum [Latin]Indacrinona [Spanish]

데이터베이스 식별자

CAS: 56049-88-8、57296-63-6
PubChem CID: 42266
DTXSID: DTXSID60866624
ChEMBL: CHEMBL7797

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 505

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 167 · 167-168 °C(Solv: acetic acid (64-19-7))
끓는 점: 553.6 · 553.6±50.0 °C(Predicted)
밀도: 1.422 · 1.422±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO에 용해됨
물리적 상태: Solid
산도 계수 (pKa): 2.8 · 2.80±0.10(Predicted)
색상: White to light yellow

안전 및 규제

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

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

indacrinone

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Agents that promote the excretion of urine through their effects on kidney function.

Gout suppressants that act directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma.

공급사6 곳

MedChemexpress LLC021-58955995 · [email protected]

天津普西唐生物医药科技有限公司010-60605840 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

上海陶术生物科技股份有限公司13564774135 · [email protected]

TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]

화합물 노트

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56049-88-8
표준 SMILES: CC1(c2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O
InChIKey: PRKWVSHZYDOZLP-UHFFFAOYSA-N
분자식: C18H14Cl2O4
평균 분자량: 365.2 g/mol
단동위원소 질량: 364.02691429

개요

Indacrinone is an orally active, indanone-based loop diuretic that consists of a racemic mixture. The (-) enantiomer is natriuretic, and the (+) enantiomer is uricosuric.