Exifone

HCID 40399CAS 52479-85-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O
InChIKey
XEDWWPGWIXPVRQ-UHFFFAOYSA-N
분자식
C13H10O7
평균 분자량
278.21 g/mol
단동위원소 질량
278.04265266

개요

(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone is a member of benzophenones.

이름 및 식별자

우선 이름
Exifone
IUPAC
(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
영어명
Exifone
분자식
C13H10O7
분자량
278.21

이름 및 동의어

EXIFONE52479-85-3ExifonaExifonumDTXSID904495038K9TOD4EGNSC-680919DTXCID7024950hexahydro-2,3,4,3',4',5'-benzophenoneRefChem:921423(3,4,5-Trihydroxy-phenyl)-(2,3,4-trihydroxy-phenyl)-methanone257-945-9
이름 더 보기
adloneNsc680919Aids060880Aids-060880Exifone USP/EP/BPExifone, 10 mM in DMSO2,3,3'',4,4''-HEXAHYDROBENZOXYPHENONE3,4,5,2',3',4'-HEXAHYDROXYBENZOPHENONE
2,3,3',4,4',5'-Hexahydroxybenzophenone(2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone4-GalloylpyrogallolExifone [INN](2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanoneC13H10O7MFCD00082966Methanone, (2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)-

데이터베이스 식별자

CAS
52479-85-3、72841-23-7
PubChem CID
40399
DTXSID
DTXSID9044950
ChEMBL
CHEMBL329522
ChEBI
CHEBI:125609
UNII
38K9TOD4EG
EC Number
257-945-9
Nikkaji
J9.936H

물성

구조 계산 물성

XLogP
1.7
극성 표면적
138 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
20

물리화학적 성질

녹는점
245 °C · 245°C
끓는 점
674.6 · 674.6±55.0 °C(Predicted)
밀도
1.759 · 1.759±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

yellow amorphous powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Exifone

vMost-DILI-concern

8

Withdrawn

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

rtecs
PC4995000
독성
LD50 in rats (g/kg): 0.355 i.p.; 1.425 orally (Gazave)
risk_code
36/37/38
safety_code
26-36

화학 및 산업

응용 분야 · 2건

개요Exifone is a nootropic indicated for the treatment of cognitive dysfunctions in geriatric patients. Its reported clinical efficacy is ascribed to pharmacological activities including activation of neuronal oxygen and glucose metabolism, free radical scavenging, and indirect effects on serotonergic and dopaminergic pathways.

용도Exifone is a nootropic drug and cognitive enhancing agent. Exifone is a free radical scavenger shown to have protective effects againts Exifone has been shown to antagonize amnesias induced by benzodiazepines in mice.

제조 방법 · 1건

Preparation by condensation of gallic acid with pyrogallol, in the presence of zinc chloride at 120° (good yield) or at 145° for 3 h (Nencki reaction); in the presence of zinc chloride and phosphorous oxychloride at 80° for 2 h, via Fries rearrangement.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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