Pamoic Acid Sodium manufacturers and suppliers on PharmaCompass

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Also known as: Nsc-49174, Nsc49174, 2-naphthoic acid,4'-methylenebis[3-hydroxy-, disodium salt, 2-naphthalenecarboxylic acid,4'-methylenebis[3-hydroxy-, disodium salt
Molecular Formula
C23H16NaO6+
Molecular Weight
411.4  g/mol
InChI Key
HBDVCWCJDFMCPY-UHFFFAOYSA-N

Pamoic Acid Sodium
1 2D Structure

Pamoic Acid Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
2.1.2 InChI
InChI=1S/C23H16O6.Na/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);/q;+1
2.1.3 InChI Key
HBDVCWCJDFMCPY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Nsc-49174

2. Nsc49174

3. 2-naphthoic Acid,4'-methylenebis[3-hydroxy-, Disodium Salt

4. 2-naphthalenecarboxylic Acid,4'-methylenebis[3-hydroxy-, Disodium Salt

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 411.4 g/mol
Molecular Formula C23H16NaO6+
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass411.08445751 g/mol
Monoisotopic Mass411.08445751 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge1
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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