Estr-5(10)-ene-3,17-dione
Basic information
- CAS
3962-66-1- Standard SMILES
C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC(=O)CC4- InChIKey
RORYLAUXKSWMQL-CBZIJGRNSA-N- Molecular formula
- C18H24O2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.17763
Names & identifiers
- Preferred name
- Estr-5(10)-ene-3,17-dione
- IUPAC
- (8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
- English name
- 19-Norandrost-5(10)-ene-3,17-dione
- Molecular formula
- C18H24O2
- Molecular weight
- 272.38
Names & synonyms
Estr-5(10)-ene-3,17-dione3962-66-119-Norandrost-5(10)-ene-3,17-dioneEINECS 223-564-12BH05A59TGUNII-2BH05A59TGDTXSID30960224RefChem:137898DTXCID301388086223-564-1RORYLAUXKSWMQL-CBZIJGRNSA-NOestr-5(10)-ene-3,17-dione
Show more names
ISO-NAD17-dioneESTRA-5-ENE-3,17-DIONE5(10)-ESTREN-3,17-DIONEProgesterone Impurity 325(10)-Estrene-3,17-dione19-Nor-androst-5(10)-ene-3Estra-5(10)-ene-3,17-dione
(8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dioneEstr-5(10)-ene-3,17-dione (1.0mg/ml in Acetonitrile)19-Nor-androst-5(10)-ene-3,17-dione; (8R,9S,13S,14S)-13-Methyl-6,7,8,9,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dioneMFCD0027164119-nor-5(10)-androstene-3,17-dioneSCHEMBL2767885(3aS,3bS,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dioneDAA96266
Database identifiers
- CAS
3962-66-1- PubChem CID
- 107484
- DTXSID
DTXSID30960224- UNII
- 2BH05A59TG
- EC Number
- 223-564-1
- Nikkaji
- J146.851K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 516
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 144 · 144-146 °C
- Boiling point
- 427.5 · 427.5±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- White
- Water Solubility
- 24 mg/L · 24mg/L at 20℃
- LogP
- 2.8 at · 2.8 at 25℃
- CAS DataBase Reference
- 3962 · 3962-66-1(CAS DataBase Reference)
- FDA UNII
- 2 BH05A59TG · 2BH05A59TG
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Oestr-5(10)-ene-3,17-dione (EC: 223-564-1)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- Hazard statements
- H410-H360-H351-H362
- REACH Registrations
- Active
- Precautionary statements
- P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501-P273-P391-P501
Chemistry & industry
Applications
UsesUsed as Intermediate of nandrolone phenylpropionate and nandrolone decanoate.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…