 Home > Encyclopedia > (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

(2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

(2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one structure

CAS No:
52-92-6
Formula:
C25H39NO4
Chemical Name:
(2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Synonyms:
52-92-6;BRN 1176392;CHEMBL3137815;DTXSID50966329;3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnane-11,20-dione;5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-2-beta-morpholino-;Pregnane-11,20-dione, 3-hydroxy-2-(4-morpholinyl)-, (2-beta,3-alpha,5-alpha)-;3-Hydroxy-2-(morpholin-4-yl)pregnane-11,20-dione;2beta-Morpholino-3alpha-hydroxy-5alpha-pregnane-11,20-dione

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(2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Basic Attributes

Molecular Weight：

417.6 g/mol

Exact Mass：

417.28790873 g/mol

Characteristics

PSA：

66.8 Å²

XLogP3：

3.0228

Melting Point：

195 - 198 °C

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intravenous	Rodent - mouse	56 mg/kg	Behavioral--altered sleep time (including change in righting reflex)	Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16,765,1964

Computed Properties

Molecular Weight:417.6
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:417.28790873
Monoisotopic Mass:417.28790873
Topological Polar Surface Area:66.8
Heavy Atom Count:30
Complexity:718
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Basic Attributes
Characteristics
Toxicity
Computed Properties

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