Basic information
- CAS
19889-45-3- Standard SMILES
NC(N)=NCc1ccc2c(c1)OCCO2- InChIKey
WTDYJDLUNYALPM-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.10077667
Overview
Guabenxan is a benzodioxine.
Names & identifiers
- Preferred name
- Guabenxan
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine
- English name
- Guabenxan
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23
Names & synonyms
Guabenxan19889-45-3GuabenxaneGuabenxanumSAW16W26X6DTXSID60173643(1,4-benzodioxan-6-yl-methyl)guanidineRefChem:144582DTXCID60961342-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidineGuabenxan [INN:DCF](1,4-Benzodioxan-6-ylmethyl)guanidine
Show more names
N-[(1,4-Benzodioxan-6-yl)methyl]guanidine1-[(1-Methyl-4-imidazolyl)methyl]guanidineGuanidine, N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-
Guabenxano1-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methyl)guanidine1-[(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methyl]guanidineGuabenxane [INN-French]Guabenxanum [INN-Latin]Guabenxano [INN-Spanish]UNII-SAW16W26X6GUABENXAN [INN]
Database identifiers
- CAS
19889-45-3- PubChem CID
- 28563
- DTXSID
DTXSID60173643- ChEMBL
CHEMBL2105111- ChEBI
CHEBI:134872- UNII
- SAW16W26X6
- Nikkaji
- J11.005A
Properties
Computed structural properties
- XLogP
- 0.3
- 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
- FDA UNII
- 16 W26X6 · SAW16W26X6
Chemistry & industry
Suppliers5 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
3B Scientific Corporation[email protected]
Additional notes
DefinitionChEBI: Guabenxan is a benzodioxine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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