11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid
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![11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3a20e572d8f9418ca6b0b122babefd5f.png "11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid")
11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid
structure -
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CAS No:
119936-20-8
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Formula:
C30H22N4O5
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Chemical Name:
11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid
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Synonyms:
Esmeraldic acid;ACMC-20mon0;C12116;119936-20-8;AC1L9EXQ;CHEBI:29580;DTXSID90332120;6H,10H-Pyrido[3,2-a:5,6,1-d'e']diphenazine-11,17-dicarboxylicacid, 4-(1-hydroxyethyl)-6-methyl- (9CI);Q27110156
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CAS No:
11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid Basic Attributes
518.5 g/mol
518.15901982 g/mol
DTXSID90332120
Computed Properties
Molecular Weight:518.5
XLogP3:4.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:518.15901982
Monoisotopic Mass:518.15901982
Topological Polar Surface Area:136
Heavy Atom Count:39
Complexity:981
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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