기본 정보
- CAS
72238-02-9- 표준 SMILES
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12- InChIKey
PAVKBQLPQCDVNI-UHFFFAOYSA-N- 분자식
- C25H32N4O
- 평균 분자량
- 404.5 g/mol
- 단동위원소 질량
- 404.25761166
개요
Retelliptine is a small molecule drug. Retelliptine has a monoisotopic molecular weight of 404.26 Da.
이름 및 식별자
- 우선 이름
- Retelliptine
- IUPAC
- N',N'-diethyl-N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
- 영어명
- N,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
- 분자식
- C25H32N4O
- 분자량
- 404.55
이름 및 동의어
Retelliptine72238-02-9RetelliptinumretelliptinaSZ0F94M68JBD-841-((3-(Diethylamino)propyl)amino)-5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazole1-((3-(Diethylamino)propyl)amino)-9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazoleDTXSID10222559NSC D626717NSC-D626717SR-95325 B
이름 더 보기
NSC-D-626717-WSR-95325B (diHCl)SR-95325A (dimaleate)1-(3-Diethylaminopropylamino)-5,11-dimethyl-9-methoxy-6H-pyrido[4,3-b]carbazoleN-[3-(Diethylamino)propyl]-5,11-dimethyl-9-methoxy-6H-pyrido[4,3-b]carbazole-1-amineN,N-diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamineN,N-Diethyl-N'-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)-1,3-propanediamineN,N-Diethyl-N'-(5,11-dimethyl-9-methoxy-6H-pyrido[4,3-b]carbazole-1-yl)-1,3-propanediamine
RefChem:178967DTXCID90145050276-512-5Retelliptine [INN]BD 84N',N'-diethyl-N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamineN1,N1-Diethyl-N3-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diaminePetelliptine [French]
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 53.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 541
물리화학적 성질
- 끓는 점
- 626.8 · 626.8±55.0 °C(Predicted)
- 밀도
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 16.52 · 16.52±0.40(Predicted)
화학 및 산업
공급사2 곳
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