기본 정보
- CAS
1135479-44-5- 표준 SMILES
CN(C)CCCC(c1[nH]c2ccc(Cn3cncn3)cc2c1CCN(C)C)c1[nH]c2ccc(Cn3cncn3)cc2c1CCN(C)C- InChIKey
AYRFNHASXHCJRE-UHFFFAOYSA-N- 분자식
- C36H49N11
- 평균 분자량
- 635.8 g/mol
- 단동위원소 질량
- 635.41724061
이름 및 식별자
- 우선 이름
- Rizatriptan 2,2-Dimer
- IUPAC
- 4,4-bis[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]-N,N-dimethylbutan-1-amine
- 현지명
- 리자트립탄2,2-DiMer
- 영어명
- Rizatriptan 2,2-DiMer
- 분자식
- C36H49N11
- 분자량
- 635.85
이름 및 동의어
Rizatriptan 2,2-Dimer1135479-44-54,4-bis[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]-N,N-dimethylbutan-1-amineDTXSID408583804,4-Bis{3-[2-(dimethylamino)ethyl]-5-[(1H-1,2,4-triazol-1-yl)methyl]-1H-indol-2-yl}-N,N-dimethylbutan-1-amineRizatriptan 2,2-Dimer; 1H-Indole-2-butanamine, 3-[2-(dimethylamino)ethyl]-d-[3-[2-(dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]-N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-; 3-[2-(Dimethylamino)ethyl]-d-[3-[2-(dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-y리자트립탄2,2-DiMerRizatriptan DiMerRizatriptan Impurity 18Thiabendazole Impurity 2-13C2,15N (5-Hydroxy Thiabendazole-13C2,15N)3-[2-(DiMethylaMino)ethyl]-δ-[3-[2-(diMethylaMino)ethyl]-5-(1H-1,2,4-triazol-1-ylMethyl)-1H-indol-2-yl]-N,N-diMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1H-indole-2-butanaMine1H-Indole-2-butanamine, 3-[2-(dimethylamino)ethyl]-δ-[3-[2-(dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]-N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 869
물리화학적 성질
- 끓는 점
- 861.9 · 861.9±75.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 17.06 · 17.06±0.30(Predicted)
화학 및 산업
응용 분야
용도Rizatriptan benzoate (R545000) impurity.
공급사10 곳
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