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72829-39-1 | SODIUM 1-AMINO-9,10-DIHYDRO-4-[[3-[(HYDROXYACETYL)AMINO]PHENYL]AMINO]-9,10-DIOXOANTHRACENE-2-SULFONATE
CAS No: 72829-39-1 Catalog No: AG005EJX MDL No:
Product Description
Catalog Number:
AG005EJX
Chemical Name:
SODIUM 1-AMINO-9,10-DIHYDRO-4-[[3-[(HYDROXYACETYL)AMINO]PHENYL]AMINO]-9,10-DIOXOANTHRACENE-2-SULFONATE
CAS Number:
72829-39-1
Molecular Formula:
C22H16N3NaO7S
Molecular Weight:
489.4331
IUPAC Name:
sodium;1-amino-4-[3-[(2-hydroxyacetyl)amino]anilino]-9,10-dioxoanthracene-2-sulfonate
InChI:
InChI=1S/C22H17N3O7S.Na/c23-20-16(33(30,31)32)9-15(24-11-4-3-5-12(8-11)25-17(27)10-26)18-19(20)22(29)14-7-2-1-6-13(14)21(18)28;/h1-9,24,26H,10,23H2,(H,25,27)(H,30,31,32);/q;+1/p-1
InChI Key:
QVPXAKZCTGSXNV-UHFFFAOYSA-M
SMILES:
OCC(=O)Nc1cccc(c1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[Na+]
EC Number:
276-920-3
Properties
Complexity:
895
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.061g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
489.434g/mol
Monoisotopic Mass:
489.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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