1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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CAS No:
6700-56-7
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Formula:
C16H23NO2.C6H8O7
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Chemical Name:
1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
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Synonyms:
1H-Azepine-4-carboxylic acid,hexahydro-1-methyl-4-phenyl-,ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Azepine-4-carboxylic acid,hexahydro-1-methyl-4-phenyl-,ethyl ester,citrate (1:1);Azepine-4-carboxylic acid,hexahydro-1-methyl-4-phenyl-,ethyl ester,citrate;Ethoheptazine citrate;Zactane;Ethoheptazine citrate (1:1);1-Methyl-4-carbethoxy-4-phenylhexamethylenimine citrate;Zactane citrate;1-Methyl-4-carbethoxyl-4-phenyl hexamethylenimine citrate;1446-48-6;2085-42-9;6078-45-1;38423-94-8
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CAS No:
1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) Basic Attributes
453.5 g/mol
453.19988157 g/mol
229-743-0
Computed Properties
Molecular Weight:453.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:453.19988157
Monoisotopic Mass:453.19988157
Topological Polar Surface Area:162
Heavy Atom Count:32
Complexity:527
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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