Details of the Drug

General Information of Drug (ID: DMLYXBF)

• Drug Name: Guanoxan
• Synonyms: Guanoxan; Guanoxan [INN:BAN]; Guanoxane; Guanoxano; Guanoxano [INN-Spanish]; Guanoxanum; Guanoxanum [INN-Latin]; Guanoxon; ((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)guanidine; (1,4-Benzodioxan-2-ylmethyl)guanidine; 2165-19-7; Envacar (Salt/Mix); BRN 1251616; DSSTox_CID_26166; DSSTox_RID_81397; GUANIDINE, (1,4-BENZODIOXAN-2-YLMETHYL)-; Guanidine, ((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-; N-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)guanidine; N-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]guanidine; NCGC00160462-01
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 207.23
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H13N3O2
  IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine
  Canonical SMILES: C1C(OC2=CC=CC=C2O1)CN=C(N)N
  InChI: HIUVKVDQFXDZHU-UHFFFAOYSA-N
  InChIKey: 1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
• Cross-matching ID:
  PubChem CID: 16564
  ChEBI ID: CHEBI:134871
  CAS Number: 2165-19-7
  DrugBank ID: DB13211
  INTEDE ID: DR0797

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[1]

References

• [1] Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.