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1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-, hydrochloride (1:1)

HCID 178682500
노트반응
기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
200940-23-4
표준 SMILES
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2.Cl
InChIKey
OOOGUILTDUSZPA-UHFFFAOYSA-N
분자식
C22H20ClF3N4O2
평균 분자량
464.9 g/mol
단동위원소 질량
464.1226881

이름 및 식별자

우선 이름
1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-, hydrochloride (1:1)
IUPAC
5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride
영어명
SB 243213 dihydrochloride
분자식
C22H20ClF3N4O2
분자량
464.87

이름 및 동의어

200940-23-4PA86JD65ZJSB 243213 hydrochlorideSB 243213 (hydrochloride)DTXSID5047322SB 243213 HClSB243213AUNII-PA86JD65ZJSB-243213A1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-, hydrochloride (1:1)5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;hydrochloride1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-(6-((2-methyl-3-pyridinyl)oxy)-3-pyridinyl)-6-(trifluoromethyl)-, hydrochloride (1:1)
이름 더 보기
5-Methyl-N-{6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl}-6-(trifluoromethyl)-2,3-dihydro-1H-indole-1-carboxamide dihydrochloride
5-Methyl-1-((-2-((2-methyl-3-pyridyl)oxy)-5-pyridyl)carbamoyl)-6-trifluoromethylindoline hydrochloride5-methyl-N-{6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl}-6-(trifluoromethyl)-2,3-dihydro-1H-indole-1-carboxamide hydrochloride5-methyl-1-[[-2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]-6-trifluoromethylindoline hydrochloride2,3-Dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-1H-Indole-1-carboxamide dihydrochlorideorb1708572SCHEMBL7473195CHEMBL3183638DTXCID3027322

물성

구조 계산 물성

극성 표면적
67.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
3
무거운 원자 수
32
형식 전하
0
복잡도
634

물리화학적 성질

용해도
50 mM; · DMSO: 50mM; Ethanol: 100mM
물리적 상태
고체
색상
Light yellow to yellow

화학 및 산업

응용 분야

용도SB 243213 Dihydrochloride is a 5-HT2c receptor antagonist.

공급사10 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

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데이터베이스 식별자

CAS
200940-23-4
PubChem CID
15981450
DTXSID
DTXSID5047322
ChEMBL
CHEMBL3183638
UNII
PA86JD65ZJ