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4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 2-(N,N-dimethylcarbamimidoyl)guanidine

HCID 20056798
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
34461-22-8
Standard SMILES
CN(C)C(=N)N=C(N)N.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChIKey
MBRKWIDGYNJPOT-UHFFFAOYSA-N
Molecular formula
C27H27N5O6
Average molar mass
517.5 g/mol
Monoisotopic mass
517.1961336

Overview

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Names & identifiers

Preferred name
4-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 2-(N,N-dimethylcarbamimidoyl)guanidine
IUPAC
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-(diaminomethylidene)-1,1-dimethylguanidine

Names & synonyms

metformin pamoate34461-22-84-[(3-carboxy-2-hydroxy-naphthalen-1-yl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 2-(N,N-dimethylcarbamimidoyl)guanidine

Database identifiers

CAS
34461-22-8
PubChem CID
20056798

Properties

Computed structural properties

Topological polar surface area
207 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
38
Formal charge
0
Complexity
700

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Compound notes

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