기본 정보
- CAS
389060-02-0- 표준 SMILES
Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2)n(C)c1=O- InChIKey
QFSMMXJBEBXTJP-UHFFFAOYSA-N- 분자식
- C18H22N6O2
- 평균 분자량
- 354.4 g/mol
- 단동위원소 질량
- 354.18042397
개요
7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione is an oxopurine and a member of piperazines.
이름 및 식별자
- 우선 이름
- 7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
- IUPAC
- 7-benzyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
- 영어명
- 7-benzyl-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
- 분자식
- C18H22N6O2
- 분자량
- 354.41
이름 및 동의어
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dioneCHEBI:455654-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-iumRefChem:545500BDPX389060-02-0CHEMBL2351347-benzyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione7-benzyl-1,3-dimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione7-benzyl-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
이름 더 보기
7-BENZYL-1,3-DIMETHYL-8-(1-PIPERAZINYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-8-(1-piperazinyl)-
BAS 015472681,3-dimethyl-7-benzyl-8-piperazinyl-1,3,7-trihydropurine-2,6-dione2aj8Oprea1_659815Oprea1_824962MLS001205201SCHEMBL5323627HMS3604O13
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 73.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 546
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
화학 및 산업
공급사1 곳
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
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