기본 정보
- CAS
85665-61-8- 표준 SMILES
Cl.Cn1c(=O)c2c(ncn2CCN(CC(=O)c2ccc(O)c(O)c2)Cc2ccccc2)n(C)c1=O- InChIKey
MMEIKUJPOXZQFE-UHFFFAOYSA-N- 분자식
- C24H26ClN5O5
- 평균 분자량
- 499.9 g/mol
- 단동위원소 질량
- 499.1622466
이름 및 식별자
- 우선 이름
- 7-(2-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)(phenylmethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
- IUPAC
- 7-[2-[benzyl-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
- 영어명
- 7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
- 분자식
- C24H26ClN5O5
- 분자량
- 499.94674
이름 및 동의어
EINECS 288-151-0X98C88G2J785665-61-8UNII-X98C88G2J77-(2-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)(phenylmethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride7-(2-(Benzyl-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)amino)ethyl)-1,3-dimethylpurine-2,6-dione hydrochlorideDTXSID60234925MMEIKUJPOXZQFE-UHFFFAOYSA-NNS000647321H-PURINE-2,6-DIONE, 7-(2-((2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)(PHENYLMETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-, HYDROCHLORIDE (1:1)1H-PURINE-2,6-DIONE, 7-(2-((2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)(PHENYLMETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-, MONOHYDROCHLORIDE7-(2-{Benzyl[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
이름 더 보기
7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride1H-Purine-2,6-dione,7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-,hydrochloride (1:1)
물성
구조 계산 물성
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 760
화학 및 산업
공급사2 곳
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