4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
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![4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/25766bd9f9994cf894701a12351f0068.png "4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine")
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
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CAS No:
5427-71-4
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Formula:
C42H44ClN3O6
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Chemical Name:
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
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Synonyms:
NSC13093;NSC-13093;5427-71-4
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CAS No:
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine Basic Attributes
722.3 g/mol
721.2918638 g/mol
13093
Computed Properties
Molecular Weight:722.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:721.2918638
Monoisotopic Mass:721.2918638
Topological Polar Surface Area:143
Heavy Atom Count:52
Complexity:903
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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