Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate

HCID 11970660
노트반응
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기본 정보

CAS
79135-94-7
표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])c(Cl)c2)C(=O)C1N=Nc1cc(Nc2nc(F)nc(F)c2Cl)c(C)cc1S(=O)(=O)[O-].[K+].[K+]
InChIKey
HBLOCACVACHTGZ-UHFFFAOYSA-L
분자식
C21H13Cl2F2K2N7O7S2
평균 분자량
726.6 g/mol
단동위원소 질량
724.89371292

이름 및 식별자

우선 이름
Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate
IUPAC
dipotassium;4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonate
영어명
dipotassium 6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate
분자식
C21H13Cl2F2K2N7O7S2
분자량
726.6000264

이름 및 동의어

79135-94-7EINECS 279-095-8Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonateHBLOCACVACHTGZ-UHFFFAOYSA-LDTXSID901375841dipotassium 4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonateNS00062205Benzenesulfonic acid, 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[2-[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-methyl-, potassium salt (1:2)dipotassium 6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate4-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]-5-methylbenzenesulfonic acid dipotassium saltBenzenesulfonic acid,4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-methyl-,dipotassium saltBenzenesulfonic acid, 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-methyl-, dipotassium salt
이름 더 보기
Benzenesulfonic acid,4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[2-[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-methyl-, potassium salt (1:2)

데이터베이스 식별자

CAS
79135-94-7
PubChem CID
11970660
DTXSID
DTXSID901375841
EC Number
279-095-8
Nikkaji
J319.239C

물성

구조 계산 물성

극성 표면적
226 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
15
회전 가능 결합 수
5
무거운 원자 수
43

화학 및 산업

공급사1 곳

湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]

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