Basic information
- CAS
3797-62-4- Standard SMILES
CCC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)[C@@H](O)C[C@@]21C- InChIKey
UKUCKBKKOVCOJJ-KFDFKENLSA-N- Molecular formula
- C24H33FO7
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.22103155
Names & identifiers
- Preferred name
- 9-Fluoro-11,16,17-trihydroxy-3,20-dioxopregn-4-en-21-yl propanoate
- IUPAC
- [2-[(8S,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
- English name
- 2-CHLORO-4,6-DIAMINO-S-TRIAZINE
- Molecular formula
- C24H33FO7
- Molecular weight
- 452.51
Names & synonyms
3797-62-4DTXSID909589609-Fluoro-11,16,17-trihydroxy-3,20-dioxopregn-4-en-21-yl propanoateRefChem:1074976DTXCID901386852FF104289Corticosterone, 9-fluoro-16alpha,17-dihydroxy-, 21-propionate(9xi)-9-Fluoro-11beta,16alpha,17-trihydroxy-3,20-dioxopregn-4-en-21-yl propanoate[2-[(8S,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-Trihydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Ph enanthren-17-Yl]-2-Oxoethyl] PropanoatePregn-4-ene-3,20-dione, 9-fluoro-11,16,17-trihydroxy-21-(1-oxopropoxy)-, (11β,16α)- (9CI)
Database identifiers
- CAS
3797-62-4- PubChem CID
- 3036239
- DTXSID
DTXSID90958960
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 886
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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