기본 정보
- CAS
233766-75-1- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@H]1COc1cccnc1[N+](C)(C)C.O=S(=O)([O-])C(F)(F)F- InChIKey
WOABWMYPDQNVPC-ZOWNYOTGSA-M- 분자식
- C18H28F3N3O6S
- 평균 분자량
- 471.5 g/mol
- 단동위원소 질량
- 471.16509128
이름 및 식별자
- 우선 이름
- N-Boc-2-trimethylammonium-A 85380 Triflate
- IUPAC
- trifluoromethanesulfonate;trimethyl-[3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]-2-pyridinyl]azanium
- 현지명
- (3-[2(S)-N-(TERT-BUTOXYCARBONYL)-2-AZETIDINYL-METHOXY]PYRIDIN-2-YL)트리메틸암모늄트리플루오로메탄설포네이트
- 영어명
- (3-[2(S)-N-(TERT-BUTOXYCARBONYL)-2-AZETIDINYL-METHOXY]PYRIDIN-2-YL)TRIMETHYLAMMONIUM TRIFLUOROMETHANESULFONATE
- 분자식
- C18H28F3N3O6S
- 분자량
- 471.49
이름 및 동의어
233766-75-1N-Boc-2-trimethylammonium-A 85380 Triflate(S)-3-((1-(tert-Butoxycarbonyl)azetidin-2-yl)methoxy)-N,N,N-trimethylpyridin-2-aminium trifluoromethanesulfonate2-Pyridinaminium, 3-[[(2S)-1-[(1,1-dimethylethoxy)carbonyl]-2-azetidinyl]methoxy]-N,N,N-trimethyl-, 1,1,1-trifluoromethanesulfonate (1:1)trifluoromethanesulfonate;trimethyl-[3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]pyridin-2-yl]azanium3-{[(2S)-1-[(tert-butoxy)carbonyl]azetidin-2-yl]methoxy}-N,N,N-trimethylpyridin-2-aminium trifluoromethanesulfonate(3-[2(S)-N-(TERT-BUTOXYCARBONYL)-2-AZETIDINYL-METHOXY]PYRIDIN-2-YL)트리메틸암모늄트리플루오로메탄설포네이트2-TMATMA-AP2-TMAAP2-TMA-A853803-[[(2S)-1-[(1,1-DiMethylethoxy)carbonyl]-2-azetidinyl]Methoxy]-N,N,N-triMethyl-2-pyridinaMiniuM
이름 더 보기
trimethyl-[3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]pyridin-2-yl]azanium(3-[2(S)-N-(TERT-BUTOXYCARBONYL)-2-AZETIDINYL-METHOXY]PYRIDIN-2-YL)TRIMETHYLAMMONIUM TRIFLUOROMETHANESULFONATE
물성
구조 계산 물성
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 559
화학적 성질
Colourless solid
화학 및 산업
응용 분야
용도An intermediate of 2-[18F]F-A85380, which is the first subtype selective PET-radiotracer to visualize the distribution of α4β 2 nicotinic acetylcholine receptors in human brain in vivo.
공급사4 곳
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