 Home > Encyclopedia > [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate structure

CAS No:
103562-82-9
Formula:
C25H31NO3
Chemical Name:
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate
Synonyms:
(3-hydroxy-17-((1-methyl-1,4-dihydropyridin-3-yl)carbonyl)oxy)estra-1,3,5(10)-triene;CDS-E2;E2-CDS;estradiol 17-dihydrotrigonelline;estradiol chemical delivery system;E2-cds;UNII-C05R6FO70O;C05R6FO70O;Estradiol 17-dihydrotrigonelline;103562-82-9;Cds-E2;CHEMBL135947;SCHEMBL4454791;DTXSID20908473;Estradiol chemical delivery system;[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate;Q27274995;17beta-Estradiol 17-[(1-methyl-1,4-dihydropyridine)-3-carboxylate];3-Hydroxyestra-1(10),2,4-trien-17-yl 1-methyl-1,4-dihydropyridine-3-carboxylate;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(1,4-dihydro-1-methyl-3-pyridinecarboxylate)

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[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate Basic Attributes

Molecular Weight：

393.5 g/mol

Exact Mass：

393.23039385 g/mol

UNII：

C05R6FO70O

Characteristics

PSA：

49.8 Å²

Drug Information

MeSH Entry Terms：

(3-hydroxy-17-((1-methyl-1,4-dihydropyridin-3-yl)carbonyl)oxy)estra-1,3,5(10)-triene

Computed Properties

Molecular Weight:393.5
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:393.23039385
Monoisotopic Mass:393.23039385
Topological Polar Surface Area:49.8
Heavy Atom Count:29
Complexity:715
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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