gallium;2-[3-[8,13-bis(1-decoxyethyl)-18-[3-(1,2-dicarboxylatoethylamino)-3-oxopropyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoylamino]butanedioate;hydron
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gallium;2-[3-[8,13-bis(1-decoxyethyl)-18-[3-(1,2-dicarboxylatoethylamino)-3-oxopropyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoylamino]butanedioate;hydron
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CAS No:
135099-39-7
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Formula:
C62H85GaN6O12
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Chemical Name:
gallium;2-[3-[8,13-bis(1-decoxyethyl)-18-[3-(1,2-dicarboxylatoethylamino)-3-oxopropyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoylamino]butanedioate;hydron
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Synonyms:
2,4-bis(1-decyloxyethyl)-Ga(III)-1,3,5,8-tetramethylporphyrin-6,7-dipropionyl diaspartic acid;ATX 70;ATX-70;135099-39-7;Atx 70;2,4-Bis(1-decyloxyethyl)-Ga(III)-1,3,5,8-tetramethylporphyrin-6,7-dipropionyl diaspartic acid;Gallate(3-), ((N,N'-((7,12-bis(1-(decyloxy)ethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-diyl)bis(1-oxo-3,1-Propanediyl))bis(L-aspartato))(6-)-N21,N22,N23,N24)-, trihydrogen, (SP-4-2)-;gallium;2-[3-[8,13-bis(1-decoxyethyl)-18-[3-(1,2-dicarboxylatoethylamino)-3-oxopropyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoylamino]butanedioate;hydron
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CAS No:
gallium;2-[3-[8,13-bis(1-decoxyethyl)-18-[3-(1,2-dicarboxylatoethylamino)-3-oxopropyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoylamino]butanedioate;hydron Basic Attributes
1176.1 g/mol
1174.54812 g/mol
Drug Information
2,4-bis(1-decyloxyethyl)-Ga(III)-1,3,5,8-tetramethylporphyrin-6,7-dipropionyl diaspartic acid
Computed Properties
Molecular Weight:1176.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:32
Exact Mass:1174.54812
Monoisotopic Mass:1174.54812
Topological Polar Surface Area:265
Heavy Atom Count:81
Complexity:1890
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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