4-[4-(allyloxy)-2-methylbenzoyl]-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
기본 정보
- CAS
551922-62-4- 표준 SMILES
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2)c(C)c1- InChIKey
ZFYLEMUAAUBINW-SHHOIMCASA-N- 분자식
- C28H32N2O5
- 평균 분자량
- 476.6 g/mol
- 단동위원소 질량
- 476.23112213
이름 및 식별자
- 우선 이름
- 4-[4-(allyloxy)-2-methylbenzoyl]-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
- 영어명
- 4-(4-(allyloxy)-2-methylbenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrol-2(5H)-one
- 분자식
- C28H32N2O5
- 분자량
- 476.56
이름 및 동의어
3-hydroxy-4-[2-methyl-4-(prop-2-en-1-yloxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-5-phenyl-2,5-dihydro-1H-pyrrol-2-one551922-62-4STK811191AKOS000526648AKOS016056044Z577795543-hydroxy-4-{[2-methyl-4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1-[3-(morpholin-4-yl)propyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one4-[4-(allyloxy)-2-methylbenzoyl]-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one4-(4-(allyloxy)-2-methylbenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-[2-methyl-4-(2-propen-1-yloxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-5-phenyl-
데이터베이스 식별자
- CAS
551922-62-4- PubChem CID
- 5767861
- EC Number
- 134-625-6
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 784
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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. 3 (100%)
관련 반응
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