Epipropidine
Basic information
- CAS
5696-17-3- Standard SMILES
C1OC1CN1CCC(C2CCN(CC3CO3)CC2)CC1- InChIKey
SNYUHPPZINRDSG-UHFFFAOYSA-N- Molecular formula
- C16H28N2O2
- Average molar mass
- 280.41 g/mol
- Monoisotopic mass
- 280.21507814
Overview
Epipropidine is an epoxide and alkylating agent with antineoplastic activity. Epipropidone is not used clinically due to its unstable nature.
Names & identifiers
- Preferred name
- Epipropidine
- IUPAC
- 1-(oxiran-2-ylmethyl)-4-[1-(oxiran-2-ylmethyl)piperidin-4-yl]piperidine
- English name
- epipropidine
- Molecular formula
- C16H28N2O2
- Molecular weight
- 280.409
Names & synonyms
Epipropidine5696-17-3EpipropidinaEpipropidinumNSC-56308T3RCY5OD7ARefChem:1084152227-170-0EpoxypropidineEponateLilly 28002Lilly Res. No. 28002
Show more names
28002Lilly28002Lilly-28002EpoxpropidineLilly Res.No.28002
NSC 563081,1'-Bis(2,3-epoxypropyl)-4,4'-bipiperidineN,N'-Di(2,3-epoxypropyl)-4,4'-bipiperidine1-(oxiran-2-ylmethyl)-4-[1-(oxiran-2-ylmethyl)piperidin-4-yl]piperidineNSC563081,1'-bis[(oxiran-2-yl)methyl]-4,4'-bipiperidineEpipropidine; Eponate; Lilly 28002; NSC 56308Epipropidine [USAN:INN]
Database identifiers
- CAS
5696-17-3- PubChem CID
- 21910
- DTXSID
DTXSID20863598- ChEMBL
CHEMBL462393- UNII
- T3RCY5OD7A
- EC Number
- 227-170-0
- Nikkaji
- J8.052G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- FDA UNII
- 3 RCY5OD7A · T3RCY5OD7A
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 74mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in mouse: 74mg/kg
Chemistry & industry
Applications
UsesAntineoplastic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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