| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:45 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184727 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H29Cl2N9O2 |
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| Molecular Mass | 521.1821 |
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| SMILES | N=C(NCCCCCNC(NC(=N)Nc1ccc(Cl)cc1)C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | PMVMMEINBHXHRK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | guanidines |
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| Direct Parent | 1-arylbiguanides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdialkylamineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidimineorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidealpha-amino acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenesecondary aliphatic aminecarboximidamidesecondary aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compoundamine |
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