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Benzenesulfonic acid, 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4-methyl-, sodium salt (1:2)

HCID 44147291
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기본 정보

CAS
72138-93-3
표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1cc(S(=O)(=O)[O-])cc(Nc2nc(F)nc(F)c2Cl)c1C.[Na+].[Na+]
InChIKey
IJCMZANLDDGSKI-UHFFFAOYSA-L
분자식
C21H14ClF2N7Na2O7S2
평균 분자량
659.948 g/mol
단동위원소 질량
658.98481047

이름 및 식별자

우선 이름
Benzenesulfonic acid, 3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4-methyl-, sodium salt (1:2)
IUPAC
Disodium 3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-methyl-5-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzene-1-sulfonate
영어명
2-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-6-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]toluene-4-sulphonic acid, sodium salt
분자식
C21H14ClF2N7Na2O7S2
분자량
659.9379064

이름 및 동의어

Einecs 280-438-92-((5-Chloro-2,6-difluoro-4-pyrimidinyl)amino)-6-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)toluene-4-sulphonic acid, sodium salt2-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-6-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]toluene-4-sulphonic acid, sodium salt3-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-4-methylbenzenesulfonic acid sodium salt3-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-5-[[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazole]-4-yl]azo]-4-methylbenzenesulfonic acid/sodium,(1:x) saltBenzenesulfonic acid,3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4-methyl-,sodium salt (1:?)

데이터베이스 식별자

CAS
72138-93-3、83400-22-0
PubChem CID
44147291
DTXSID
DTXSID70890177
EC Number
280-438-9
Nikkaji
J447.054K

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