Icospiramide

HCID 71233

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 79449-99-3
Standard SMILES: N#CC1(c2ccc(F)cc2)CCC(N2CCC3(CC2)C(=O)N(CC(N)=O)CN3c2ccc(F)cc2)CC1
InChIKey: HVWIHGNIDIIREZ-UHFFFAOYSA-N
Molecular formula: C28H31F2N5O2
Average molar mass: 507.6 g/mol
Monoisotopic mass: 507.24458157

Names & identifiers

Preferred name: Icospiramide
IUPAC: 2-[8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
English name: icospiramide
Molecular formula: C28H31F2N5O2
Molecular weight: 507.58

Names & synonyms

IcospiramideIcospiramida79449-99-3IcospiramidIcospiramide [INN]IcospiramidumIcospiramidum [Latin]Icospiramida [Spanish]UNII-H0N246YG4YH0N246YG4YEINECS 279-161-62-[8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

Show more names

R-517262-[8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethanamide2-[8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide8-[4α-Cyano-4β-(4-fluorophenyl)cyclohexan-1α-yl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-3-acetamide

8-(cis-4-Cyano-4-(p-fluorophenyl)cyclohexyl)-1-(p-fluorophenyl)-4-oxo-1,3,8-triazaspiro(4.5)decane-3-acetamide2-{8-[4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL]-1-(4-FLUOROPHENYL)-4-OXO-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL}ACETAMIDESCHEMBL2109374CHEMBL2105050DTXSID30868519HVWIHGNIDIIREZ-UHFFFAOYSA-NDTXSID301107068NS00062253

Database identifiers

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 93.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 37
Formal charge: 0
Complexity: 889

Physicochemical properties

Boiling point: 752.218 · 752.218±60.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.357 · 1.357±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 15.628 · 15.628±0.40(predicted)
FDA UNII: 0 N246YG4Y · H0N246YG4Y

Chemistry & industry

Suppliers1 total

Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…