| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:13 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11ClN4 |
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| Molecular Mass | 234.0672 |
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| SMILES | N#Cc1cc2c(cc1Cl)CCN(C(=N)N)C2 |
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| InChI Key | VMTRFWMLZYOLAA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarboximidamidesguanidineshydrocarbon derivativesiminesnitrilesorganochloridesorganopnictogen compounds |
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| Substituents | aryl chloridenitrileazacycleguanidineimineorganochloridecarboximidamideorganohalogen compoundaryl halidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrile |
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