RefChem:119183

disodium;3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-N-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoate

Also Known As: EINECS 273-337-6|disodium 3-[{4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]phenyl}(5-chloro-2,6-difluoropyrimidin-4-yl)amino]propanoate|.beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2)|beta-Alanine, N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, disodium salt|beta-Alanine, N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2)|Disodium N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alaninate|disodium n-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]phenyl]-n-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alaninate|N-(4-(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alanine, sodium salt|.beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, disodium salt|1-Amino-4-[p-[N-(2-carboxyethyl)-5-chloro-2,6-difluoro-4-pyrimidinylamino]anilino]-9,10-dioxo-2-anthracenesulfonic acid disodium salt|beta-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2)|disodium 3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-N-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoate

Molecular Formula	C27H16ClF2N5Na2O7S
Molecular Weight	673.0222 g/mol
LogP	-3.3
Topological Polar Surface Area	198.54 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	673.0222
Heavy Atoms	45
Complexity	1968.3

Chemical Identifiers

CAS Number	68957-40-4
SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N(CCC(=O)[O-])C5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])N.[Na+].[Na+]