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

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

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

CAS No:
862-38-4
Formula:
C25H39NO5
Chemical Name:
(3S,5S,8S,9S,10S,13S,14S,16S,17S)-17-acetyl-3,17-dihydroxy-10,13-dimethyl-16-morpholin-4-yl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Synonyms:
862-38-4;BRN 1181604;DTXSID001006643;3-beta,17-Dihydroxy-16-beta-morpholino-5-alpha-pregnane-11,20-dione;5-alpha-Pregnane-11,20-dione, 3-beta,17-dihydroxy-16-beta-morpholino-;3,17-Dihydroxy-16-(morpholin-4-yl)pregnane-11,20-dione

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

Molecular Weight：

433.6 g/mol

Exact Mass：

433.28282334 g/mol

Characteristics

PSA：

87.1 Å²

XLogP3：

2.1377

Melting Point：

220 - 223 °C (methanol)

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	107 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:433.6
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:433.28282334
Monoisotopic Mass:433.28282334
Topological Polar Surface Area:87.1
Heavy Atom Count:31
Complexity:765
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Toxicity
Computed Properties

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