 Home > Encyclopedia > (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol

(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol

(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol structure

CAS No:
17083-11-3
Formula:
C22H37NO2
Chemical Name:
(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
Synonyms:
3 beta-N-methylamino-18,20-dihydroxy-5-pregnene;paravallarinol;Paravallarinol;17083-11-3;(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol;Pregn-5-ene-18,20-diol, 3-(methylamino)-, (3-beta,20S)-;(20S)-3-beta-N Methyl-amino-18,20-dihydroxypregna-5-ene [French];Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-;DTXSID70937839;(20S)-3-beta-N Methyl-amino-18,20-dihydroxypregna-5-ene;3-(Methylamino)pregn-5-ene-18,20-diol

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(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol Basic Attributes

Molecular Weight：

347.5 g/mol

Exact Mass：

347.282429423 g/mol

Characteristics

PSA：

52.5 Å²

Drug Information

MeSH Entry Terms：

3 beta-N-methylamino-18,20-dihydroxy-5-pregnene

Computed Properties

Molecular Weight:347.5
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:347.282429423
Monoisotopic Mass:347.282429423
Topological Polar Surface Area:52.5
Heavy Atom Count:25
Complexity:546
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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