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2610-05-1 | CHICAGO SKY BLUE 6B
CAS No: 2610-05-1 Catalog No: AG003ORX MDL No:MFCD00004020
Product Description
Catalog Number:
AG003ORX
Chemical Name:
CHICAGO SKY BLUE 6B
CAS Number:
2610-05-1
Molecular Formula:
C34H24N6Na4O16S4
Molecular Weight:
992.8040
MDL Number:
MFCD00004020
IUPAC Name:
tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
InChI:
InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChI Key:
BPHHNXJPFPEJOF-UHFFFAOYSA-J
SMILES:
COc1cc(ccc1NN=C1C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)OC)NN=C1C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
220-026-8
UNII:
8NN34MAQ6H
Properties
Complexity:
1830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
991.972g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
992.791g/mol
Monoisotopic Mass:
991.972g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
423A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Mechanisms underlying the nociception and paw oedema caused by injection of glutamate into the mouse paw. | Brain research 20020111 |
| The vital dye Evans blue mimics limbic seizures induced by kainate or pilocarpine. | Brain research 19970411 |
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