Teneligliptin Hydrobromide Hydrate
기본 정보
- CAS
1572583-29-9- 표준 SMILES
Br.Br.Br.Br.Br.Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1.Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1.O- InChIKey
IBFYBPDPBLVHHZ-RPZAKFRXNA-N- 분자식
- C44H67Br5N12O3S2
- 평균 분자량
- 1,275.7 g/mol
- 단동위원소 질량
- 1,270.08174
이름 및 식별자
- 우선 이름
- Teneligliptin Hydrobromide Hydrate
- IUPAC
- bis([(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone);hydrate;pentahydrobromide
- 영어명
- Teneligliptin Hydrobromide Hydrate
- 분자식
- C22H33BrN6O2S
- 분자량
- 525.51
이름 및 동의어
Teneligliptin hydrobromide hydrate1572583-29-9UNII-15S4OCS6SS15S4OCS6SSTeneligliptin hydrobromide hydrate (JAN)TENELIGLIPTIN HYDROBROMIDE HYDRATE [JAN]TENELIGLIPTIN HYDROBROMIDE HYDRATE [WHO-DD]((2S,4S)-4-(4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(1,3-thiazolidin-3-yl)methanone hemipentahydrobromide hydrate{(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone hemipentahydrobromide hydrateRefChem:187833906093-29-6, anhydrideMETHANONE, ((2S,4S)-4-(4-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-1-PIPERAZINYL)-2-PYRROLIDINYL)-3-THIAZOLIDINYL-, HYDROBROMIDE, (2:5), HYDRATE
이름 더 보기
Teneligliptin HBr HydrateTeneligliptin HBr SesquihydrateTrelagliptinhydrobromidehydrateTetragliptin hydrobromide hydrateTeneligliptin hydrobromide hydrate (2:5)X H2OTeneligliptin?Hydrobromide?Hydrate (API)Teneligliptin R-Isomer Hemipentahydrobromide Hydrate((2S,4S)-4-(4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone hydrobromide hydrate(2:5:x)
물성
구조 계산 물성
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 66
- 형식 전하
- 0
- 복잡도
- 594
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 2 mg/ml; PBS (pH 7.2): 10 mg/ml
- 물리적 상태
- 결정성 고체
- 색상
- White to off-white
- InChIKey
- IBFYBPDPBLVHHZ-RPZAKFRXNA-N
- SMILES
- CC1=NN(C2C=CC=CC=2)C(N2CCN([C@@H]3CN[C@H](C(N4CSCC4)=O)C3)CC2)=C1.Br.O |&1:15,18,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
관련 반응
0건
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