기본 정보
- CAS
188923-01-5- 표준 SMILES
C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl- InChIKey
VZBKOBSSEVXFNF-QIRDZIKRSA-N- 분자식
- C26H29ClF7N5O2
- 평균 분자량
- 612 g/mol
- 단동위원소 질량
- 611.1898
이름 및 식별자
- 우선 이름
- Unii-E4C3xgz4U7
- IUPAC
- 1-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine;hydrochloride
- 영어명
- L 760735
- 분자식
- C26H29ClF7N5O2
- 분자량
- 611.99
이름 및 동의어
188923-01-5UNII-E4C3XGZ4U7L-760735L-760735F hydrochlorideE4C3XGZ4U71-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine;hydrochloride1-(4-(((2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine hydrochloride1H-1,2,3-Triazole-4-methanamine, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-N,N-dimethyl-, hydrochloride (1:1)1H-1,2,3-Triazole-4-methanamine, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-N,N-dimethyl-, monohydrochloride1H-1,2,3-TRIAZOLE-4-METHANAMINE, 5-[[(2R,3S)-2-[(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY]-3-(4-FLUOROPHENYL)-4-MORPHOLINYL]METHYL]-N,N-DIMETHYL-, HYDROCHLORIDE (1:1)2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)4-(5-(dimethyl-amino)methyl-1,2,3-triazol-4-yl)methyl-3-(S)-(4-fluorophenyl)morpholine HCl5-((2-(1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-methanamine hydrochloride, 2R-(2ar*,3a)
물성
구조 계산 물성
- 극성 표면적
- 66.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 774
물리화학적 성질
- 녹는점
- 201 · 201-202 °C(Solv: ethyl acetate (141-78-6); heptane (142-82-5); isopropanol (67-63-0))
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mM · Soluble to 30 mM in water and to 50 mM in DMSO
- 물리적 상태
- 가루
- 색상
- Off-white to light yellow
화학 및 산업
응용 분야
용도L 760735 is used in the synthetic preparation of a (triazolylmethyl)morpholine derivative as substance P antagonist.
공급사6 곳
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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