Betanidin sulfate
Molecular Formula:
C18H16N2O12S
InChI: InChI=1/C18H14N2O8.H2O4S/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26;1-5(2,3)4/h1-3,5-7,11H,4H2,(H5,21,22,23,24,25,26,27,28);(H2,1,2,3,4)/fC18H15N2O8.HO4S/h21-23,27H,19H2;1H/q+1;-1/b8-1-,20-2+;
InChIKey: InChIKey=NNVGPBLBYBOOHJ-AJYWDTNTDZ
SMILES: C1C([NH2+]C(=CC1=CC=[N+]2C3=CC(=C(C=C3C=C2C(=O)O)O)O)C(=O)O)C(=O)[O-].OS(=O)(=O)[O-]
Names:
betanidine sulfate
Betanidin sulfate
1H-Indolium, 2-carboxy-1-((2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene)-5,6-dihydroxy-, hydroxide, inner salt, sulfate (salt)
1H-INDOLIUM, 2-CARBOXY-1-((2,6-DICARBOXY-2,3-DIHYDRO-4(1H)-PYRIDINYLIDENE)ETHYLI
2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R*))-, sulfate (salt)
37717-82-1
Registries:
PubChem CID 6434233
PubChem ID 179130
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