3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT

C22H24N2Na4O10 — CID 126960353

IUPAC—
SMILESCOc1cc(-c2ccc(N(CC(=O)O)CC(=O)O)c(OC)c2)ccc1N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/C22H24N2O10.4Na/c1-33-17-7-13(3-5-15(17)23(9-19(25)26)10-20(27)28)14-4-6-16(18(8-14)34-2)24(11-21(29)30)12-22(31)32;;;;/h3-8H,9-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;
InChIKeyOJUXFMIASIPQHZ-UHFFFAOYSA-N
MW568.40 g/mol
LogP-0.20
Rot. Bonds13

About 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT

3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT (PubChem CID 126960353) has the molecular formula C22H24N2Na4O10 and a molecular weight of 568.40 g/mol.

Molecular Properties

Compound Name3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT
PubChem CID126960353
Molecular FormulaC22H24N2Na4O10
Molecular Weight568.40 g/mol
Exact Mass568.10
IUPAC Name—
SMILESCOc1cc(-c2ccc(N(CC(=O)O)CC(=O)O)c(OC)c2)ccc1N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na]
InChIInChI=1S/C22H24N2O10.4Na/c1-33-17-7-13(3-5-15(17)23(9-19(25)26)10-20(27)28)14-4-6-16(18(8-14)34-2)24(11-21(29)30)12-22(31)32;;;;/h3-8H,9-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;
InChIKeyOJUXFMIASIPQHZ-UHFFFAOYSA-N
XLogP-0.20
TPSA174.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
4-[4-[bis(oxiran-2-ylmethyl)amino]-3-methoxyphenyl]-2-methoxy-N,N-bis(oxiran-2-ylmethyl)aniline
CID 165037981
4-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzoic acid
CID 53228823
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
4-[bis(carboxymethyl)amino]-3-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]benzoic acid
CID 67817401
2-[N-(carboxymethyl)-2-fluoro-5-methoxy-4-nitroanilino]acetic acid
CID 107260017
3-[4-(3,4-dimethoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887229
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
CID 131879696
CID 131879696
4-(2,4-dimethoxy-N-propylanilino)butanoic acid
CID 100521291
3-(2,4-dimethoxy-N-prop-2-enylanilino)propanoic acid
CID 82317570

Frequently Asked Questions

What is the IUPAC name of 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT?
The IUPAC name of 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT (CID 126960353) is not available.
What is the SMILES notation for 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT?
The canonical SMILES for 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT is COc1cc(-c2ccc(N(CC(=O)O)CC(=O)O)c(OC)c2)ccc1N(CC(=O)O)CC(=O)O.[Na].[Na].[Na].[Na].
What is the InChIKey of 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT?
The InChIKey is OJUXFMIASIPQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O10.4Na/c1-33-17-7-13(3-5-15(17)23(9-19(25)26)10-20(27)28)14-4-6-16(18(8-14)34-2)24(11-21(29)30)12-22(31)32;;;;/h3-8H,9-12H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;.
What are the key properties of 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT?
3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT has a molecular weight of 568.40 g/mol, XLogP of -0.20, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-DIMETHOXYBENZIDINE-N,N,N',N'-TETRAACETIC ACID, TETRASODIUM SALT is sourced from PubChem (CID 126960353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).