F-490
Basic information
- CAS
41515-09-7- Standard SMILES
CC(=O)Nc1ccc(-c2ccc(/C=N/N3CC(=O)NC3=O)o2)cc1- InChIKey
KCHQFKQLAANEFF-CAOOACKPSA-N- Molecular formula
- C16H14N4O4
- Average molar mass
- 326.31 g/mol
- Monoisotopic mass
- 326.10150494
Overview
metabolite of dantrolene; structure given in first source
Names & identifiers
- Preferred name
- F-490
- IUPAC
- N-[4-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]phenyl]acetamide
Names & synonyms
BG5Q5GN5POF 49041515-09-7F-490RefChem:1398221-((5-(p-Acetamidophenyl)-2-furanyl)methyleneamino)hydantoinUNII-BG5Q5GN5POACETAMIDODANTROLENE1-((5-(p-Acetamidophenyl)-2-furanyl)methyleneamino)-2,4-imidazolidinedioneAcetanilide, 4'-(5-(((2,4-dioxo-1-imidazolidinyl)imino)methyl)-2-furyl)-N-[4-[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]phenyl]acetamideCHEMBL3276948
Show more names
HYDANTOIN, 1-((5-(p-ACETAMIDOPHENYL)-2-FURANYL)METHYLENEAMINO)-Q27274653ACETAMIDE, N-(4-(5-(((2,4-DIOXO-1-IMIDAZOLIDINYL)IMINO)METHYL)-2-FURANYL)PHENYL)-
Database identifiers
- CAS
41515-09-7- PubChem CID
- 9570580
- ChEMBL
CHEMBL3276948- UNII
- BG5Q5GN5PO
- Nikkaji
- J3.738.523I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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