Basic information
- CAS
70133-78-7- Standard SMILES
CC1(C)CC(NCC(O)Cn2ccnc2[N+](=O)[O-])CC(C)(C)N1[O]- InChIKey
IKSXGGNRWXPODG-UHFFFAOYSA-N- Molecular formula
- C15H26N5O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.19847933
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ro 03-9454
- IUPAC
- (4-{[2-Hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
Names & synonyms
70133-78-7Ro 03-9454RefChem:179592(4-{[2-hydroxy-3-(2-nitro-1h-imidazol-1-yl)propyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanylDTXSID309903691-Piperidinyloxy, 4-((2-hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl)amino)-2,2,6,6-tetramethyl-4-[[2-Hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl]amino]-2,2,6,6-tetramethyl-1-piperidinyloxy
Database identifiers
- CAS
70133-78-7- PubChem CID
- 129807
- DTXSID
DTXSID30990369
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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