3-((1,1-Dimethylethyl)amino)-2-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)propan-1-ol, (2RS)-
기본 정보
- CAS
610271-56-2- 표준 SMILES
CC(C)(C)NCC(COc1nsnc1N1CCOCC1)Oc1nsnc1N1CCOCC1- InChIKey
SUZPUXCABRWWIA-UHFFFAOYSA-N- 분자식
- C19H31N7O4S2
- 평균 분자량
- 485.6 g/mol
- 단동위원소 질량
- 485.18789484
이름 및 식별자
- 우선 이름
- 3-((1,1-Dimethylethyl)amino)-2-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)propan-1-ol, (2RS)-
- IUPAC
- N-[2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine
- 영어명
- N-[2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine
- 분자식
- C19H31N7O4S2
- 분자량
- 485.62
이름 및 동의어
610271-56-2W5J1NXF2G21-Propanamine, N-(1,1-dimethylethyl)-2,3-bis((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-3-((1,1-Dimethylethyl)amino)-2-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)propan-1-ol, (2RS)-RefChem:1066262UNII-W5J1NXF2G2Timolol maleate specified impurity C [EP]N-[2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine2-[4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl]-rac-Timolol EtherN-(1,1-Dimethylethyl)-2,3-bis[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-1-propanamine1-Propanamine, N-(1,1-dimethylethyl)-2,3-bis[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-; (2RS)-N-(1,1-Dimethylethyl)-2,3-bis[[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy]-propan-1-amine; N-(1,1-Dimethylethyl)-2,3-bis[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-1-propanamine; Timolol Maleate Imp C (EP)Timolol EP Impurity C Racemic
이름 더 보기
Timolol EP Impurity CTimolol Impurity-C (Pure)Timolol Related Compound CTimolol EP impurity C maleate salt1-Propanamine, N-(1,1-dimethylethyl)-2,3-bis[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-(2RS)-N-(1,1-dimethylethyl)-2,3-bis[[4-(morpholin-4-yl)- 1,2,5-thiadiazol-3-yl]oxy]propan-1-amine
Timolol Maleate EP Impurity CSCHEMBL15608432TIMOLOL MALEATE IMPURITY C [EP IMPURITY]Q272923382-[4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl]-rac-TimololEther2-[4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl](R)-(+)-TimololEther2-[4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl](S)-(-)-TimololEtherN-(tert-butyl)-2,3-bis((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-1-amine
데이터베이스 식별자
- CAS
610271-56-2- PubChem CID
- 72941838
- UNII
- W5J1NXF2G2
- Nikkaji
- J1.931.947D
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 564
물리화학적 성질
- 끓는 점
- 657.6 · 657.6±55.0 °C(Predicted)
- 밀도
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 8.58 · 8.58±0.10(Predicted)
- 물리적 상태
- Oil to Thick Oil
- 색상
- 무색
화학 및 산업
응용 분야
용도2-[4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl]-rac-Timolol Ether (Timolol EP Impurity C; Timolol BP Impurity C; Timolol USP Related Compound C) is a mixture of 2-[4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl] (R)-(+)-Timolol ether (M725155) and 2-[4-(4-Morpholinyl)-1,2,5-thiadiazol-3-yl] (S)-(-)-Timolol ether (M725160), both impurities of (R)-(+)-Timolol (T443705) and (S)-(-)-Timolol (T443710), respectively.
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