Basic information
- CAS
1070-95-7- Standard SMILES
CC(C)(C)CC(C)(C)N=C(N)N.Cl- InChIKey
QRFSLMLESAIOMB-UHFFFAOYSA-N- Molecular formula
- C9H22ClN3
- Average molar mass
- 207.74 g/mol
- Monoisotopic mass
- 207.1502254
Names & identifiers
- Preferred name
- Guanoctine Hydrochloride
- IUPAC
- 2-(2,4,4-trimethylpentan-2-yl)guanidine;hydrochloride
- English name
- A-7283
- Molecular formula
- C9H22ClN3
- Molecular weight
- 207.74408
Names & synonyms
GUANOCTINE HYDROCHLORIDE1070-95-7Guanoctine HClA-7283BP-1184Guanoctine hydrochloride [USAN]Guanidine, (1,1,3,3-tetramethylbutyl)-, monohydrochlorideUNII-Z1B7625421(1,1,3,3-Tetramethylbutyl)guanidine monohydrochlorideGuanoctine hydrochloride (USAN)Z1B7625421DTXSID90147872
Show more names
RefChem:144671DTXCID50703631-(2,4,4-Trimethylpentan-2-yl)guanidine hydrochloride2-(2,4,4-trimethylpentan-2-yl)guanidine;hydrochlorideBP 1184starbld0001534Guanoctine (hydrochloride)A 7283
Database identifiers
- CAS
1070-95-7- PubChem CID
- 14059
- DTXSID
DTXSID90147872- ChEMBL
CHEMBL2107664- UNII
- Z1B7625421
Properties
Computed structural properties
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- FDA UNII
- 1 B7625421 · Z1B7625421
Chemistry & industry
Applications
UsesAntihypertensive.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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