Hydroxylaminoglutethimide
Basic information
- CAS
87787-87-9- Standard SMILES
CCC1(c2ccc(NO)cc2)CCC(=O)NC1=O- InChIKey
SSOLPIHEAAUXCL-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.11609238
Overview
aminoglutethimide metabolite in humans; structure given in first source
Names & identifiers
- Preferred name
- Hydroxylaminoglutethimide
- IUPAC
- 3-ethyl-3-[4-(hydroxyamino)phenyl]piperidine-2,6-dione
- English name
- 3-ethyl-3-[4-(hydroxyamino)phenyl]piperidine-2,6-dione
- Molecular formula
- C13H16N2O3
- Molecular weight
- 0
Names & synonyms
Hydroxylaminoglutethimide87787-87-93-Ethyl-3-(4-hydroxylaminophenyl)-2,6-piperidinedioneRefChem:923149AW5WG92FW93-ethyl-3-[4-(hydroxyamino)phenyl]piperidine-2,6-dioneUNII-AW5WG92FW9HYDROXYAMINOGLUTETHIMIDE(HYDROXYAMINO)GLUTETHIMIDEDTXSID5010077912,6-PIPERIDINEDIONE, 3-ETHYL-3-(4-(HYDROXYAMINO)PHENYL)-2,6-Piperidinedione, 3-ethyl-3-(4-(hydroxyamino)phenyl)-, trans-
Show more names
3-ETHYL-3-(4-(HYDROXYAMINO)PHENYL)-2,6-PIPERIDINEDIONE3-Ethyl-6-hydroxy-3-[4-(hydroxyamino)phenyl]-4,5-dihydropyridin-2(3H)-one
Database identifiers
- CAS
87787-87-9- PubChem CID
- 137353
- DTXSID
DTXSID501007791- UNII
- AW5WG92FW9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- FDA UNII
- 5 WG92FW9 · AW5WG92FW9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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