Granisetron불순물C

9'-Desmethyl Granisetron (Granisetron Impurity C)

HCID 45038885CAS 160177-67-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1nc(C(=O)NC2CC3CCCC(C2)N3)c2ccccc21
InChIKey: VIGVTDRZHFWDBM-UHFFFAOYSA-N
분자식: C17H22N4O
평균 분자량: 298.4 g/mol
단동위원소 질량: 298.17936132

이름 및 식별자

우선 이름: 9'-Desmethyl Granisetron (Granisetron Impurity C)
IUPAC: N-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methylindazole-3-carboxamide
현지명: Granisetron불순물C
영어명: Granisetron Impurity C
분자식: C17H22N4O
분자량: 298.38

이름 및 동의어

160177-67-39'-Desmethyl Granisetron (Granisetron Impurity C)N-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methylindazole-3-carboxamideMFCD00872009N-(9-Azabicyclo[3.3.1]nonan-3-yl)-1-methyl-1H-indazole-3-carboxamideGranisetron Impurity CN-{9-azabicyclo[3.3.1]nonan-3-yl}-1-methyl-1H-indazole-3-carboxamideN-{9-AZABICYCLO[3.3.1]NONAN-3-YL}-1-METHYLINDAZOLE-3-CARBOXAMIDEN-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamideSCHEMBL9639329DTXSID60661898AKOS027460976

이름 더 보기

Granisetron불순물CGranisetron EP impurity CN-[(1R,3r,5S)-9-Azabicyclo[3.3.1]noGranisetron Hydrochloride Impurity CGranisetron Hydrochloride EP Impurity C9’-Desmethyl Granisetron (Granisetron Impurity C)Granisetron Impurity 3（Granisetron EP Impurity C）

Endo-N-(9-azabicyclo[3.3.1]non-3-yl)-1-methyl-1H-indazole-3-carboxamideID21276DB-288073N-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methyl-indazole-3-carboxamideN-(9-azabicyclo[3.3.1]non-3-yl)-1-methyl-1H-indazole-3-carboxamideN-((3-endo)-9-Azabicyclo[3.3.1]nonan-3-yl)-1-methyl-1H-indazole-3-carboxamide

데이터베이스 식별자

CAS: 160177-67-3
PubChem CID: 45038885
DTXSID: DTXSID60661898

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 59 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 417

물리화학적 성질

녹는점: 167 · 167-169°C
끓는 점: 549.054 · 549.054±40.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.397 · 1.397±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.381 · 12.381±0.20(predicted)
색상: 흰색에서 연한 노란색

화학적 성질

Light Yellow Powder

화학 및 산업

공급사33 곳

济南百隆化学有限公司[email protected] · [email protected]

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杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

연결된 노트

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