16-Dehydropregnenolone acetate oxime
Basic information
- CAS
2174-13-2- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(/C(C)=N/O)=CCC32)C1- InChIKey
OVKSHCIVDWZSJD-ZVHZXABRSA-N- Molecular formula
- C23H33NO3
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.24604391
Names & identifiers
- Preferred name
- 16-Dehydropregnenolone acetate oxime
- IUPAC
- [17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- 16-Dehydropregnenolone acetate oxime
- Molecular formula
- C23H33NO3
- Molecular weight
- 371.51
Names & synonyms
2174-13-216-DEHYDROPREGNENOLONE ACETATE OXIMENSC224249SCHEMBL17723096NSC-224249Pregna-5, 3-(acetyloxy)-, 20-oxime, (3.beta.)-NSC 224249Einecs 218-530-8Prasterone Impurity 2Abiraterone Impurity 24Abiraterone Related Compound 3Abiraterone acetate lmpurity 21
Show more names
Abiraterone acetate Impurity 21Pregnenolone-16-ene Acetate Oxime16-Dehydropregnenolone Acetate Oxim
Database identifiers
- CAS
2174-13-2- PubChem CID
- 9568809
- EC Number
- 218-530-8
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Melting point
- 220 · 220-223 °C
- Boiling point
- 495 · 495.0±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate
- form
- Solid
- pka
- 12.13 · 12.13±0.10(Predicted)
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesPregnenolone-16-ene Acetate Oxime is used in the synthesis of pegnange derivatives as antioxidant and anti-dyslipidemic agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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