Basic information
- CAS
1420-68-4- Standard SMILES
CCCCCCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
UNGDDFDVVHFRQA-FTIQDDARSA-N- Molecular formula
- C28H42O4
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.30830982
Names & identifiers
- Preferred name
- Desoxycortone enanthate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] heptanoate
- English name
- 21-hydroxypregn-4-ene-3,20-dione 21-heptanoate
- Molecular formula
- C28H42O4
- Molecular weight
- 442.63
Names & synonyms
Desoxycortone enanthate21-Hydroxypregn-4-ene-3,20-dione 21-heptanoateEINECS 215-820-6G5T433V1SCDesoxycortone enantateCORTIRON-DEPOTDEOXYCORTICOSTERONE ENANTATEPregn-4-ene-3,20-dione, 21-((1-oxoheptyl)oxy)-DESOXYCORTONE ENANTHATE [WHO-DD]Pregn-4-ene-3,20-dione, 21-[(1-oxoheptyl)oxy]-RefChem:5858241420-68-4
Show more names
Heptanoic acid 3,20-dioxopregn-4-en-21-yl ester
UNII-G5T433V1SC[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] heptanoate3,20-dioxopregn-4-en-21-yl heptanoateSCHEMBL19028027DTXSID10931295UNGDDFDVVHFRQA-FTIQDDARSA-NNS00045544Q27278802
Database identifiers
- CAS
1420-68-4- PubChem CID
- 102121
- DTXSID
DTXSID10931295- UNII
- G5T433V1SC
- EC Number
- 215-820-6
- Nikkaji
- J298.606J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 782
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 559.6 · 559.6±50.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- FDA UNII
- 5 T433V1SC · G5T433V1SC
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 360 · H360-H373
- Precautionary statements
- 260 · P260-P314-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Pregn-4-ene-3,20-dione, 21-[(1-oxoheptyl)oxy]-: Environment tier I assessment
Hazard Classes and CategoriesRepr. 1A (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H360-H373
- Precautionary statements
- P260-P314-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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