Guanoxan
Basic information
- CAS
2165-19-7- Standard SMILES
NC(N)=NCC1COc2ccccc2O1- InChIKey
HIUVKVDQFXDZHU-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.10077667
Overview
Guanoxan is a benzodioxine.
Names & identifiers
- Preferred name
- Guanoxan
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidine
- English name
- Guanoxan
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23
Names & synonyms
Guanoxan2165-19-7GuanoxanoDTXSID3046166Guanoxanum9V0MRL0R5YN-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]guanidineDTXCID1026166N-((2,3-Dihydro-1,4-benzodioxin-2-yl)methyl)guanidineRefChem:144701C02CC03Guanoxane
Show more names
Guanoxan USP/EP/BP2-(GuanidinoMethyl)-1,4-benzodioxan(1,4-Benzodioxan-2-ylmethyl)guanidine2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)guanidine1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)guanidineGuanidine, N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-
Guanoxon2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)guanidineGUANIDINE, (1,4-BENZODIOXAN-2-YLMETHYL)-Guanidine, ((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-NCGC00160462-011-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)guanidineGuanoxan [INN:BAN]Guanoxanum [INN-Latin]
Database identifiers
- CAS
2165-19-7- PubChem CID
- 16564
- DTXSID
DTXSID3046166- ChEMBL
CHEMBL76725- ChEBI
CHEBI:134871- UNII
- 9V0MRL0R5Y
- Nikkaji
- J7.344J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 164 · 164-165°
- Boiling point
- 339.3 · 339.3±45.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 12.3 · pKa 12.3 (Uncertain)
- FDA UNII
- 9 V0MRL0R5Y · 9V0MRL0R5Y
- ATC code
- 2 CC03 · C02CC03
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Applications
UsesGuanoxan is a sympatholytic drug related to Guanethidine (G815000). Guanoxan is used in the treatment of hypertension.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Guanoxan is a benzodioxine.
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