기본 정보
- CAS
61-71-2- 표준 SMILES
O=C1Nc2ccccc2C1O- InChIKey
SGZFJWQQBHYNNF-UHFFFAOYSA-N- 분자식
- C8H7NO2
- 평균 분자량
- 149.15 g/mol
- 단동위원소 질량
- 149.04767847
이름 및 식별자
- 우선 이름
- Dioxindole
- IUPAC
- 3-hydroxy-1,3-dihydroindol-2-one
- 영어명
- 3-Iodophenyl acetate
- 분자식
- C8H7NO2
- 분자량
- 149.15
이름 및 동의어
3-hydroxyindolin-2-oneDioxindole61-71-23-Hydroxy-2-oxoindole1,3-Dihydro-3-hydroxy-2H-indol-2-one3-hydroxy-1,3-dihydro-2H-indol-2-oneCHEBI:28536DTXSID801018937RefChem:502559DTXCID9014769503-hydroxyoxindole3-hydroxy-2,3-dihydro-1H-indol-2-one
이름 더 보기
dioxindolo-Aminomandelic lactam3-Hydroxyindoline-2-one3-Hydroxy-1H-indole-2(3H)-one2,3-Dihydro-3-hydroxy-1H-indole-2-one
3-hydroxy-1,3-dihydroindol-2-one3-hydroxy-2-indolinoneCHEMBL21527172H-INDOL-2-ONE, 1,3-DIHYDRO-3-HYDROXY-NSC-263192-Indolinone, 3-hydroxy-Oxindole, 3-hydroxy-NSC 26319
데이터베이스 식별자
- CAS
61-71-2- PubChem CID
- 6097
- DTXSID
DTXSID801018937- ChEMBL
CHEMBL2152717- ChEBI
CHEBI:28536- UNII
- NSL4M8FFA2
- EC Number
- 826-730-7
- Nikkaji
- J4.817H
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 181
물리화학적 성질
- 녹는점
- 167 · 167-168 °C
- 끓는 점
- 368.2 · 368.2±42.0 °C(Predicted)
- 밀도
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.35 · 12.35±0.20(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.
A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)
공급사4 곳
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
추가 설명
정의ChEBI: An oxindole that is 1,3-dihydro-2H-indol-2-one substituted by a hydroxy group at position 3.
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