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284678-29-1 | 1,3-Naphthalenedisulfonic acid, 7-[[[4-[[(3-amino-1-methyl-1H-pyrazol-5-yl)carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-, sodium salt (1:2)
CAS No: 284678-29-1 Catalog No: AG002VDP MDL No:
Product Description
Catalog Number:
AG002VDP
Chemical Name:
1,3-Naphthalenedisulfonic acid, 7-[[[4-[[(3-amino-1-methyl-1H-pyrazol-5-yl)carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-, sodium salt (1:2)
CAS Number:
284678-29-1
Molecular Formula:
C21H18N6Na2O8S2
Molecular Weight:
592.5126
IUPAC Name:
7-[[4-[(5-amino-2-methylpyrazole-3-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid
InChI:
InChI=1S/C21H20N6O8S2/c1-26-10-13(24-21(29)17-9-19(22)25-27(17)2)7-16(26)20(28)23-12-4-3-11-5-14(36(30,31)32)8-18(15(11)6-12)37(33,34)35/h3-10H,1-2H3,(H2,22,25)(H,23,28)(H,24,29)(H,30,31,32)(H,33,34,35)
InChI Key:
QFGXIOHOGRGGDO-UHFFFAOYSA-N
SMILES:
Nc1nn(c(c1)C(=O)Nc1cn(c(c1)C(=O)Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+]
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.078g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
548.545g/mol
Monoisotopic Mass:
548.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
233A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Novel sulfonated and phosphonated analogs of distamycin which inhibit the replication of HIV. | Antiviral research 19950801 |
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