ChemicalBook--->CAS DataBase List--->100632-58-4

100632-58-4

100632-58-4 Structure

100632-58-4 Structure
IdentificationBack Directory
[Name]

N-Ethyl-N-heptyl-4-[(4-Mesylamino)phenyl]-4-oxobutanamide
[CAS]

100632-58-4
[Synonyms]

Ibutilide USP RC A
1,4-Diketo Ibutilide
butilide Related CoMpound A
Ibutilide Related CoMpound A
Ibutilide USP Related Compound A
Ibutilide Impurity 1 (Ibutilide USP Related Compound A)
N-ETHYL-N-HEPTYL-4-[(4-MESYLAMINO)PHENYL]-4-OXOBUTANAMIDE
N-ETHYL-N-HEPTYL-4-(METHYLSULFONYL)AMINO--OXO-BENZENEBUTANAMIDE
N-Ethyl-N-heptyl-4-(4-(MethylsulfonaMido)phenyl)-4-oxobutanaMide
N-ETHYL-N-HEPTYL-4-[(METHYLSULFONYL)AMINO]-G-OXO-BENZENEBUTANAMIDE
Benzenebutanamide, N-ethyl-N-heptyl-4-[(methylsulfonyl)amino]-γ-oxo-
N-Ethyl-N-heptyl-4-[(methylsulfonyl)amino]-gamma-oxo-benzenebutanamide
Ibutilide Related Compound A (N-Ethyl-N-heptyl-4-[4-(methylsulfonamido)phenyl]-4-oxobutanamide) (1335621)
[Molecular Formula]

C20H32N2O4S
[MDL Number]

MFCD09839032
[MOL File]

100632-58-4.mol
[Molecular Weight]

396.54
Chemical PropertiesBack Directory
[Melting point ]

102-103 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
[Boiling point ]

566.1±60.0 °C(Predicted)
[density ]

1.141±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

7.19±0.10(Predicted)
[Major Application]

pharmaceutical (small molecule)
pharmaceutical
[InChI]

1S/C20H32N2O4S/c1-4-6-7-8-9-16-22(5-2)20(24)15-14-19(23)17-10-12-18(13-11-17)21-27(3,25)26/h10-13,21H,4-9,14-16H2,1-3H3
[InChIKey]

IJUIQGJHHJVHKP-UHFFFAOYSA-N
[SMILES]

[S](=O)(=O)(Nc1ccc(cc1)C(=O)CCC(=O)N(CCCCCCC)CC)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[WGK Germany ]

WGK 3
[HS Code ]

2935909550
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

An intermediate for preparing optically pure Ibutilide fumarate (I155400).
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