Nandrolone benzoate

C25H30O3 — CID 227796

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] benzoate
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35
InChIInChI=1S/C25H30O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h2-6,15,19-23H,7-14H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1
InChIKeyNZGKYNGOBSDZNY-YNFNDHOQSA-N
MW378.50 g/mol
LogP4.90
Rot. Bonds3

About Nandrolone benzoate

Nandrolone benzoate (PubChem CID 227796) has the molecular formula C25H30O3 and a molecular weight of 378.50 g/mol. Its IUPAC name is [(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] benzoate.

Molecular Properties

Compound NameNandrolone benzoate
PubChem CID227796
Molecular FormulaC25H30O3
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name[(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] benzoate
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35
InChIInChI=1S/C25H30O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h2-6,15,19-23H,7-14H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1
InChIKeyNZGKYNGOBSDZNY-YNFNDHOQSA-N
XLogP4.90
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity673

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze Nandrolone benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nandrolone Phenylpropionate
CID 229455
Betamethasone Benzoate
CID 5282492
Testosterone phenylpropionate
CID 14743
Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CID 6437076
Benzodrocortisone
CID 119845
Dihydrotestosterone benzoate
CID 13987
Cholesteryl Benzoate
CID 2723613
Testosterone benzoate
CID 101474
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-benzoate
CID 108314
Galaxolidone
CID 69131857
ethyl 4-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-17-acetyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethynyl]benzoate
CID 10695946
ethyl 4-[2-[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]ethynyl]benzoate
CID 10719875

Frequently Asked Questions

What is the IUPAC name of Nandrolone benzoate?
The IUPAC name of Nandrolone benzoate (CID 227796) is [(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] benzoate.
What is the SMILES notation for Nandrolone benzoate?
The canonical SMILES for Nandrolone benzoate is C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35.
What is the InChIKey of Nandrolone benzoate?
The InChIKey is NZGKYNGOBSDZNY-YNFNDHOQSA-N. The full InChI is InChI=1S/C25H30O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h2-6,15,19-23H,7-14H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1.
What are the key properties of Nandrolone benzoate?
Nandrolone benzoate has a molecular weight of 378.50 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Nandrolone benzoate is sourced from PubChem (CID 227796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).