Prenortestosterone

HCID 235672CAS 1089-78-7
Substructure searchFind similar structures

Basic information

Standard SMILES
C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(=O)CC4
InChIKey
BAZGVDKAIHZPOH-ZBRFXRBCSA-N
Molecular formula
C18H26O2
Average molar mass
274.4 g/mol
Monoisotopic mass
274.19328007

Overview

17beta-hydroxyestr-5(10)-en-3-one is a 3-oxo steroid that is estr-5(10)-ene substituted by an oxo group at position 3 and a beta-hydroxy group at position 17. It is a 17beta-hydroxy steroid and a 3-oxo steroid. It derives from a hydride of an estrane.

Names & identifiers

Preferred name
Prenortestosterone
IUPAC
(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
English name
(8S,9S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular formula
C18H26O2
Molecular weight
274.4

Names & synonyms

Prenortestosterone1089-78-717-Hydroxy-estr-5(10)-en-3-one17beta-Hydroxyestr-5(10)-en-3-oneEstr-5(10)-en-3-one, 17.beta.-hydroxy-UNII-99T8YP2W0499T8YP2W04NSC 37320NSC-37320CHEBI:79759DTXSID90148768Delta(5,10)-dehydro-19-nordihydrotestosterone
Show more names
17β-Hydroxyestr-5(10)-en-3-one17 beta-Hydroxy-5(10)-estren-3-oneEstr-5(10)-en-3-one, 17-hydroxy-, (17β)-17β-Hydroxy-19-norandrost-5(10)-en-3-one(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one(8S,9S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
ESTR-5(10)-EN-17.BETA.-OL-3-ONE17.BETA.-HYDROXYESTR-5(10)-EN-3-ONE17.BETA.-HYDROXY-19-NORANDROST-5(10)-EN-3-ONERefChem:175878DTXCID0071259Estr-5(10)-en-17beta-ol-3-oneEstr-5(10)-en-3-one, 17beta-hydroxy-17BETA-HYDROXY-19-NORANDROST-5(10)-EN-3-ONE

Database identifiers

CAS
1089-78-7
PubChem CID
235672
DTXSID
DTXSID90148768
ChEBI
CHEBI:79759
UNII
99T8YP2W04
EC Number
600-891-1
Nikkaji
J554.834I

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
20

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
199.8 · 199.8-201 °C (decomp)(Solv: ethyl acetate (141-78-6))
Boiling point
428.7 · 428.7±45.0 °C(Predicted)
Density
1.14 · 1.14±0.1 g/cm3(Predicted)
vapor pressure
0.001 Pa · 0.001Pa at 20℃
solubility
Chloroform (Slightly), Ethanol (Slightly, Sonicated)
pka
15.06 · 15.06±0.40(Predicted)

Safety & regulation

Hazard information

Regulatory InformationREACH registered substance: 17 beta-Hydroxy-5(10)-estren-3-one (EC: 600-891-1)

Safety data

Signal word
Danger
Symbol(GHS)
GHS08
Hazard statements
H351-H362-H360
REACH Registrations
Inactive
Precautionary statements
P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501

Chemistry & industry

Applications

UsesTestosterone (T155000) derivative. Inhibits estrogen biosynthesis. A steroid ligand for the cytosol androgen receptor (AR) of rat prostate.

Suppliers9 total

郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
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]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 17beta-hydroxyestr-5(10)-en-3-one is a 3-oxo steroid that is estr-5(10)-ene substituted by an oxo group at position 3 and a beta-hydroxy group at position 17. It is a 3-oxo steroid and a 17beta-hydroxy steroid. It derives from a hydride of an estrane.

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…