NM-004 disodiumProduct ingredient for NM-004
- Name
- NM-004 disodium
- Drug Entry
- NM-004
- Accession Number
- DBSALT003402
- Structure
Structure for NM-004 disodium (DBSALT003402)
- Synonyms
- 5-(4-carboxymethyl-phenylazo)-2-hydroxybenzoic acid disodium salt / INN-108 Disodium / NAA-004 DISODIUM
- UNII
- QS757J8N0F
- CAS Number
- Not Available
- Weight
- Average: 344.234
Monoisotopic: 344.03850999 - Chemical Formula
- C15H10N2Na2O5
- InChI Key
- TXJBXFLHWJRGQI-WXIBIURSSA-L
- InChI
- InChI=1S/C15H12N2O5.2Na/c18-13-6-5-11(8-12(13)15(21)22)17-16-10-3-1-9(2-4-10)7-14(19)20;;/h1-6,8,18H,7H2,(H,19,20)(H,21,22);;/q;2*+1/p-2/b17-16+;;
- IUPAC Name
- disodium 5-[(1E)-2-[4-(carboxylatomethyl)phenyl]diazen-1-yl]-2-hydroxybenzoate
- SMILES
- [Na+].[Na+].OC1=CC=C(C=C1C([O-])=O)\N=N\C1=CC=C(CC([O-])=O)C=C1
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 4.02 Chemaxon pKa (Strongest Acidic) 2.97 Chemaxon pKa (Strongest Basic) 0.17 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 125.21 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 102.6 m3·mol-1 Chemaxon Polarizability 28.88 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon