CAS 1425-10-1 Nandrolone acetate (HCID 102122)

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Basic information

CAS: 1425-10-1
Standard SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
InChIKey: TTWYUPSVWLOIRF-XGXHKTLJSA-N
Molecular formula: C20H28O3
Average molar mass: 316.4 g/mol
Monoisotopic mass: 316.20384476

Overview

causes chemical modification of delta(5)-3-ketoisomerase during its 3-oxo-4-estren-17 beta-yl acetate-dependent photoinactivation; RN given refers to (17beta)-isomer

Names & identifiers

Preferred name: Nandrolone acetate
IUPAC: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
English name: 19-Nortestosterone acetate
Molecular formula: C20H28O3
Molecular weight: 316.43

Names & synonyms

Nandrolone acetate1425-10-18Z4NN9XF7DNSC-73213DTXSID909314903-oxo-4-estren-17 beta-yl acetateRefChem:164511DTXCID001360198(17 beta)-17-(acetyloxy)estr-4-en-3-one215-842-619-Nortestosterone acetate[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Show more names

Nandrolone impurity 117β-Acetoxyestra-4-ene-3-one4-ESTREN-17β-OL-3-ONE ACETATE19-Nortestosterone 17β-acetate4-ESTREN-17-BETA-OL-3-ONE ACETATE

17.beta.-Acetoxy-19-nortestosterone17beta-Acetoxy-19-nortestosterone(17beta)-3-oxoestr-4-en-17-yl acetateEINECS 215-842-6NSC 7321317beta-Hydroxyestr-4-en-3-one 17-acetateUNII-8Z4NN9XF7DEstr-4-en-3-one, 17-(acetyloxy)-, (17.beta.)-

Database identifiers

CAS: 1425-10-1

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 563

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

solubility: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 2 mg/ml
form: A crystalline solid
FDA UNII: 8 Z4NN9XF7D · 8Z4NN9XF7D

Chemistry & industry

Applications

Uses4-Estren-17β-ol-3-one Acetate is a steroid which is used in the preparation of disubstituted nor-steroids as GABA receptor modulators useful in the treatment of CNS-related diseases.