기본 정보
- CAS
79467-24-6- 표준 SMILES
Cl.Cl.NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1.O- InChIKey
CAEGSEJNBXUDOD-UHFFFAOYSA-N- 분자식
- C29H34Cl4F2N4O3
- 평균 분자량
- 666.4 g/mol
개요
See also: Mioflazine (has active moiety).
이름 및 식별자
- 우선 이름
- Mioflazine Hydrochloride
- IUPAC
- 1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide;hydrate;dihydrochloride
이름 및 동의어
Mioflazine hydrochloride79467-24-6Mioflazine HClMioflazin hydrochloridMioflazine hydrochloride [USAN]UNII-DU5M1YH1M1DU5M1YH1M1R-51,469Mioflazine hydrochloride (USAN)R-51469(+-)-4-(4,4-Bis(p-fluorophenyl)butyl)-3-carbamoyl-2',6'-dichloro-1-piperazineacetanilide hydrochloride1-Piperazineacetamide, 3-(aminocarbonyl)-4-(4,4-bis(4-fluorophenyl)butyl)-N-(2,6-dichlorophenyl)-, dihydrochloride, monohydrate
이름 더 보기
4-(4,4-Bis(p-fluorophenyl)butyl)-3-carbamoyl-2,6-dichloro-1-piperazineacetanilide dihydrochloride monohydrate1-PIPERAZINEACETAMIDE, 3-(AMINOCARBONYL)-4-(4,4-BIS(4-FLUOROPHENYL)BUTYL)-N-(2,6-DICHLOROPHENYL)-, HYDROCHLORIDE, HYDRATE (1:2:1)RefChem:15898883898-67-31-[4,4-Bis(4-fluorophenyl)butyl]-4-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-2-piperazinecarboxamide dihydrochloride hydrate1-PIPERAZINEACETAMIDE,3-(AMINOCARBONYL)-4-[4,4-BIS(4-FLUOROPHENYL)BUTYL]-N-(2,6-DICHLOROPHENYL)-,HYDROCHLORIDE, HYDRATE (1:2:1)SCHEMBL119416mioflazine hydrochloride hydrate
데이터베이스 식별자
- CAS
79467-24-6、83898-67-3- PubChem CID
- 21896660
- ChEMBL
CHEMBL3989906- UNII
- DU5M1YH1M1
- EC Number
- 281-279-8
물성
구조 계산 물성
- 극성 표면적
- 79.7 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 763
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