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1,1-Dimethylethyl N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate

HCID 25157236
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기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
830346-51-5
표준 SMILES
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)c2=O)c1F
InChIKey
UOUIRPGFUIEVPG-VWLOTQADSA-N
분자식
C33H32F5N3O5
평균 분자량
645.625 g/mol
단동위원소 질량
645.22621222

이름 및 식별자

우선 이름
1,1-Dimethylethyl N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate
영어명
Carbamic acid, N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
분자식
C33H32F5N3O5
분자량
645.62

이름 및 동의어

Elagolix Impurity 9Elagolix Impurity 20N-Boc Desbutyrate Elagolixtert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fl...TERT-BUTYL (R)-(2-(5-(2-FLUORO-3-METHOXYPHENYL)-3-(2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL)-4-METHYL-2,6-(R)-3-[2-(Boc-amino)-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione3-[(2R)-N-(tert-butoxycarbonyl)amino-2-phenylethyl]-2-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedionetert-butyl N-[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]carbamatetert-butyl (R)-(2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)carbamate(R)-tert-butyl (2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)carbamate

데이터베이스 식별자

물성

물리화학적 성질

밀도
1.309 · 1.309±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer
용해도
디클로로메탄; 메탄올 에 용해됨
산도 계수 (pKa)
11.5 · 11.50±0.46(Predicted)

화학 및 산업

상·하류 제품 정보

하류 제품

3-[(2R)-2-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

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CAS
830346-51-5
PubChem CID
25157236
DTXSID
DTXSID801098878
UNII
A9HP97C98Y