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208576-38-9 | 1,7-Naphthalenedisulfonic acid, 4-[[(4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-, sodium salt (1:2)
CAS No: 208576-38-9 Catalog No: AG002JRN MDL No:
Product Description
Catalog Number:
AG002JRN
Chemical Name:
1,7-Naphthalenedisulfonic acid, 4-[[(4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-, sodium salt (1:2)
CAS Number:
208576-38-9
Molecular Formula:
C16H13N3Na2O7S2
Molecular Weight:
469.3999
IUPAC Name:
4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid
InChI:
InChI=1S/C16H15N3O7S2/c1-19-8-9(17)6-14(19)16(20)18-13-4-5-15(28(24,25)26)12-7-10(27(21,22)23)2-3-11(12)13/h2-8H,17H2,1H3,(H,18,20)(H,21,22,23)(H,24,25,26)
InChI Key:
RGWGKRVKPVVMOJ-UHFFFAOYSA-N
SMILES:
Nc1cn(c(c1)C(=O)Nc1ccc(c2c1ccc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.035g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
425.43g/mol
Monoisotopic Mass:
425.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Inhibition of in vitro and in vivo HIV replication by a distamycin analogue that interferes with chemokine receptor function: a candidate for chemotherapeutic and microbicidal application. | Journal of medicinal chemistry 19980618 |
| Novel sulfonated and phosphonated analogs of distamycin which inhibit the replication of HIV. | Antiviral research 19950801 |
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