Basic information
- Standard SMILES
NC(N)=NCCNc1c(Cl)cccc1Cl- InChIKey
YDDRXDOPBABLRB-UHFFFAOYSA-N- Molecular formula
- C9H12Cl2N4
- Average molar mass
- 247.12 g/mol
- Monoisotopic mass
- 246.04390174
Overview
Guanclofine is a small molecule drug. Guanclofine has a monoisotopic molecular weight of 246.04 Da.
Names & identifiers
- Preferred name
- Guanclofine
- IUPAC
- 2-[2-(2,6-dichloroanilino)ethyl]guanidine
- English name
- Guanclofine
- Molecular formula
- C9H12Cl2N4
- Molecular weight
- 247.12
Names & synonyms
GuanclofineGuanclofina55926-23-3Guanclofinum9D89762N7C(2-(2,6-Dichloroanilino)ethyl)guanidineDTXSID60204527RefChem:144637DTXCID90127018Guanclofine [INN]2-[2-(2,6-dichloroanilino)ethyl]guanidineGuanclofinum [INN-Latin]
Show more names
Guanoclofine1-[2-(2,6-Dichloroanilino)ethyl]guanidine2-(2',6'-Dichlorphenylamino)-ethylguanidinGuanidine, N-[2-[(2,6-dichlorophenyl)amino]ethyl]-
Guanclofina [INN-Spanish]UNII-9D89762N7CCHEMBL2106795SCHEMBL10409655SCHEMBL10409656NS00126848N''-[2-(2,6-Dichloroanilino)ethyl]guanidine1-(2-((2,6-Dichlorophenyl)amino)ethyl)guanidine
Database identifiers
- CAS
55926-23-3- PubChem CID
- 68754
- DTXSID
DTXSID60204527- ChEMBL
CHEMBL2106795- UNII
- 9D89762N7C
- Nikkaji
- J11.088D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 402.2 · 402.2±55.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.70(Predicted)
- FDA UNII
- 9 D89762N7C · 9D89762N7C
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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