기본 정보
- CAS
79712-53-1- 표준 SMILES
Cl.Cl.Cn1c(=O)c2c(ncn2CC(O)CN2CCN(CCCSc3ccccc3)CC2)n(C)c1=O- InChIKey
HFYFNZKRWQJSLF-UHFFFAOYSA-N- 분자식
- C23H34Cl2N6O3S
- 평균 분자량
- 545.5 g/mol
개요
See also: Tazifylline (has active moiety).
이름 및 식별자
- 우선 이름
- Tazifylline Hydrochloride
- IUPAC
- 7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride
이름 및 동의어
Tazifylline HClTAZIFYLLINE HYDROCHLORIDE79712-53-1RS-49014409R6U6UEILN 29741H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxy-3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-1,3-dimethyl-, dihydrochloride, (+-)-RefChem:187619Tazifylline hydrochloride [USAN]7-[2-hydroxy-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;dihydrochlorideTazifylline hydrochloride (USAN)UNII-409R6U6UEI
이름 더 보기
SCHEMBL636755CHEMBL3989709HFYFNZKRWQJSLF-UHFFFAOYSA-NTAZIFYLLINE HYDROCHLORIDE [MART.](+-)-7-(2-Hydroxy-3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)theophylline dihydrochloride1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-, dihydrochloride7-(2-hydroxy-3-(4-(3-(phenylthio)propyl)piperazin-1-yl)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione dihydrochlorideD06012
데이터베이스 식별자
- CAS
79712-53-1- PubChem CID
- 6918044
- ChEMBL
CHEMBL3989709- UNII
- 409R6U6UEI
물성
구조 계산 물성
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 671
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