Spiramide hydrochloride

HCID 77445

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Basic information

CAS: 3824-91-7
Standard SMILES: Cl.O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2
InChIKey: WEEQZERYOOQWBZ-UHFFFAOYSA-N
Molecular formula: C22H27ClFN3O2
Average molar mass: 419.9 g/mol
Monoisotopic mass: 419.177583

Names & identifiers

Preferred name: Spiramide hydrochloride
IUPAC: 8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

Names & synonyms

Spiramide hydrochloride3824-91-7DTXSID10191630RefChem:184727DTXCID50114121Spiramide HCl8-(3-(p-Fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decane-4-one hydrochlorideSCHEMBL308167081,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenoxy)propyl)-1-phenyl-, hydrochloride1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenoxy)propyl)-1-phenyl-, monohydrochloride8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one--hydrogen chloride (1/1)

Database identifiers

CAS: 3824-91-7
PubChem CID: 77445
DTXSID: DTXSID10191630

Properties

Computed structural properties

Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 510

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