9-Dehydroandrostenedione

HCID 239595CAS 1035-69-4

Substructure search Find similar structures

Basic information

Standard SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey: HJTUINCBGMVXOB-LNMJFAINSA-N
Molecular formula: C19H24O2
Average molar mass: 284.4 g/mol
Monoisotopic mass: 284.17763

Names & identifiers

Preferred name: 9-Dehydroandrostenedione
IUPAC: (8S,10S,13S,14S)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
English name: NSC44826
Molecular formula: C19H24O2
Molecular weight: 284.39

Names & synonyms

9-Dehydroandrostenedione1035-69-4Androsta-4,9(11)-diene-3,17-dioneUNII-9329RS039I9329RS039IEC 700-663-2NSC 44826NSC-44826DTXSID60145880RefChem:107844DTXCID4068371(8S,10S,13S,14S)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Show more names

NSC44826Exemestane Impurity 52Testosterone Impurity 6

9(11)-DehydroandrostenedioneDeltaandrost-4,9(11)-diene-3,17-dioneCHEMBL37993634,9(11)-Androstadiene-3,17-dioneAndrosta-4,9(11)-diene-3,17-dione; 9(11)-Dehydroandrostenedione; NSC 44826Androstenediol Impurity 2SCHEMBL1421773CHEBI:79710

Database identifiers

CAS: 1035-69-4
PubChem CID: 239595
DTXSID: DTXSID60145880
ChEMBL: CHEMBL3799363
ChEBI: CHEBI:79710
UNII: 9329RS039I
EC Number: 700-663-2
Nikkaji: J36.718D

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 597

Physicochemical properties

Melting point: 202 · 202-204 °C
Boiling point: 448.5 · 448.5±45.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Yellow to Dark Yellow
FDA UNII: 9329 RS039I · 9329RS039I
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 362 · H362-H360-H373
Precautionary statements: 260 · P260-P314-P501-P201-P260-P263-P264-P270-P308+P313
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P203, P260, P263, P264, P270, P280, P318, P319, P405, 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.

Hazard information

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11583

Hazard Classes and CategoriesRepr. 1A (100%)；Lact. (100%)；STOT RE 2 (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11583

Safety data

Signal word: Danger
Symbol(GHS): GHS08
Hazard statements: H362-H360-H373
REACH Registrations: Active
Precautionary statements: P260-P314-P501-P201-P260-P263-P264-P270-P308+P313

Chemistry & industry

Applications · 1 item

Uses9-Dehydroandrostenedione, is a dehydrated analogue of 4-Androsten-11β-ol-3,17-dione (A637705). It is a steroid hormone, and also a derivative of Androstenedione (A637550), which is a Testosterone precursor and metabolite with androgenic activity.