| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:46 UTC |
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| Update Date | 2025-03-25 00:45:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H29ClN6O2 |
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| Molecular Mass | 432.2041 |
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| SMILES | COc1cc(CNCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)ccc1O |
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| InChI Key | AJUUPXSCWKZVMC-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl chloridescarboximidamideschlorobenzenesdialkylamineshydrocarbon derivativesiminesmethoxybenzenesmethoxyphenolsorganochloridesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetherimineorganochloride1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganohalogen compoundorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenesecondary aliphatic aminecarboximidamidesecondary aminemethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compoundamine |
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