Basic information
- CAS
112989-02-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC- InChIKey
QUVZKDZYEOYGKV-UHFFFAOYSA-N- Molecular formula
- C28H59N2O6P
- Average molar mass
- 550.8 g/mol
- Monoisotopic mass
- 550.4110746
Overview
anti-HIV agent; RN & structure given in first source
Names & identifiers
- Preferred name
- 3-Octadecanamido-2-ethoxypropylphosphocholine
- IUPAC
- [2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- rac-3-Octadecanamido-2-Ethoxypropan-1-ol Phosphocholine
- Molecular formula
- C28H59N2O6P
- Molecular weight
- 550.75
Names & synonyms
112989-02-33-Oeppc3-Octadecanamido-2-ethoxypropylphosphocholineRefChem:95185rac-3-Octadecanamido-2-ethoxypropan-1-ol Phosphocholinerac-2-Ethoxy-3-octadecanamido-1-propylphosphocholine163702-18-9[2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphateNSC624874rac-2-ethoxy-3-octadecanamido-1-propyl phosphocholine3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI)3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide; 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (+/-)-; CP 51; rac-3-Octadecanamido-2-ethoxypropan-1-ol Phosphocholine
Show more names
7-Ethoxy-4-hydroxy-N,N,N-triMethyl-10-oxo-3,5-dioxa-9-aza-4-phosphaheptacosan-1-aMiniuM 4-oxide
NSC 624874AM-18-OEtCHEMBL416753DTXSID30920964CP-51CCG-204573NSC-624874NCGC00015414-02
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 27
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Melting point
- 245 °C · 245 °C (decomp)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 1.204 · 1.204±0.50(predicted)
- color
- White
Chemistry & industry
Applications
UsesShows strong inhibitory action against neoplastic cell growth in vitro as well as inhibiting Protein Kinase C.
Suppliers6 total
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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