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
ATC Code
C02CC03: Guanoxan
C02CC: Guanidine derivatives
C02C: ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
C02: ANTIHYPERTENSIVES
C: CARDIOVASCULAR SYSTEM
Structure
3D MOL 2D MOL
#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
InChI=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)
InChIKey
HIUVKVDQFXDZHU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16564
ChEBI ID
CHEMBL134871
CAS Number
2165-19-7
UNII
9V0MRL0R5Y
DrugBank ID
DB13211
INTEDE ID
DR0797
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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