N-Des메틸수마트립탄
Monodesmethyl sumatriptan
기본 정보
- CAS
88919-51-1- 표준 SMILES
CNCCc1c[nH]c2ccc(CS(=O)(=O)NC)cc12- InChIKey
YDTVAJYBEHCVJY-UHFFFAOYSA-N- 분자식
- C13H19N3O2S
- 평균 분자량
- 281.38 g/mol
- 단동위원소 질량
- 281.11979803
이름 및 식별자
- 우선 이름
- Monodesmethyl sumatriptan
- IUPAC
- N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
- 현지명
- N-Des메틸수마트립탄
- 영어명
- N-DesMethyl SuMatriptan
- 분자식
- C13H19N3O2S
- 분자량
- 281.38
이름 및 동의어
Monodesmethyl sumatriptan88919-51-1UNII-6691XA829C6691XA829CDTXSID50237425Sumatriptan succinate specified impurity B [EP](3-(2-(Methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide1H-Indole-5-methanesulfonamide, N-methyl-3-(2-(methylamino)ethyl)-N-Methyl(3-(2-(methylamino)ethyl)-1H-indol-5-yl)methanesulfonamideSUMATRIPTAN SUCCINATE IMPURITY B [EP IMPURITY]SUMATRIPTAN SUCCINATE IMPURITY B (EP IMPURITY)SUMATRIPTAN IMPURITY, (3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL)-N-METHYLMETHANESULFONAMIDE-(USP IMPURITY)
이름 더 보기
N-Des메틸수마트립탄SuMatriptan EP IMpurity BN-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamideN-DesMethyl SuMatriptanSumatriptanEPImpurityBHemisucciteSumatriptan Succinate EP impurity BSumatriptan EP Impurity B HemisuccinateN-Desmethyl Sumatriptan Discontinued see D293505Sumatriptan Impurity 2（Sumatriptan EP Impurity B）Sumatriptan EP Impurity B (N-Desmethyl Sumatriptan)SUMATRIPTAN EP IMPURITY B (OR) N-DESMETHYL SUMATRIPTAN
Sumatriptan impurity, (3-(2-(methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide-(USP)SUMATRIPTAN IMPURITY, (3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL)-N-METHYLMETHANESULFONAMIDE-[USP IMPURITY]Sumatriptan impurity, (3-(2-(methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide-[USP]SUMATRIPTAN SUCCINATE IMPURITY, (3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL)-N-METHYLMETHANESULFONAMIDE-(USP IMPURITY)Sumatriptan succinate impurity, (3-(2-(methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide-(USP)SUMATRIPTAN SUCCINATE IMPURITY, (3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL)-N-METHYLMETHANESULFONAMIDE-[USP IMPURITY]Sumatriptan succinate impurity, (3-(2-(methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide-[USP]RefChem:159559
데이터베이스 식별자
- CAS
88919-51-1- PubChem CID
- 10826690
- DTXSID
DTXSID50237425- UNII
- 6691XA829C
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 82.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 380
물리화학적 성질
- 녹는점
- 75 · 75-76 °C
- 끓는 점
- 505.4 · 505.4±60.0 °C(Predicted)
- 밀도
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- 용해도
- DMSO(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.31 · 11.31±0.40(Predicted)
- 색상
- 흰색에서 밝은 노란색
화학 및 산업
응용 분야
용도An impurity of the antimigraine Sumatriptan (S810000).
관련 반응
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