6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrate;dihydrochloride
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6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrate;dihydrochloride
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CAS No:
122956-67-6
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Formula:
C30H36Cl2N4O5
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Chemical Name:
6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrate;dihydrochloride
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Synonyms:
UNII-7CH5E50P0D;7CH5E50P0D;122956-67-6;Nafagrel hydrochloride hemihydrate;ACMC-20mqbf;DTXSID50924328;2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-6-(1H-imidazol-1-ylmethyl)-, hydrochloride, hydrate(2:2:1);2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-6-(1H-imidazol-1-ylmethyl)-, monohydrochloride, hydrate (2:1);6-[(1H-Imidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid--hydrogen chloride--water (2/2/1)
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CAS No:
6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrate;dihydrochloride Basic Attributes
603.5 g/mol
602.2062756 g/mol
7CH5E50P0D
Computed Properties
Molecular Weight:603.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:602.2062756
Monoisotopic Mass:602.2062756
Topological Polar Surface Area:111
Heavy Atom Count:41
Complexity:334
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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