(4E)-5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}pyrrolidine-2,3-dione
기본 정보
- CAS
496771-32-5- 표준 SMILES
Cc1cc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(Cl)cc2)ccc1OCC(C)C- InChIKey
JKGPWTDHAHPVBO-ZNTNEXAZSA-N- 분자식
- C26H31ClN2O4
- 평균 분자량
- 471 g/mol
- 단동위원소 질량
- 470.1972352
이름 및 식별자
- 우선 이름
- (4E)-5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-{hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylidene}pyrrolidine-2,3-dione
- IUPAC
- (4E)-5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
- 영어명
- 5-(4-chlorophenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one
- 분자식
- C26H31ClN2O4
- 분자량
- 470.99
이름 및 동의어
496771-32-55-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-oneMFCD09795327STK628380AKOS002191666AKOS005561180AKOS016064094ZINC000102175287ZINC000102175291Z57780752CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCN(C)C)O)CCC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)Cl)O)OCC(C)C
이름 더 보기
2H-Pyrrol-2-one, 5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-
(4E)5(4chlorophenyl)1(2(dimethylamino)ethyl)4(hydroxy(3methyl4(2methylpropoxy)phenyl)methylidene)pyrrolidine23dione(4E)5(4CHLOROPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE5-(4-chlorophenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one5-(4-CHLOROPHENYL)-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-4-(4-ISOBUTOXY-3-METHYLBENZOYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 730
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, 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%)
관련 반응
0건
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