 Home > Encyclopedia > (8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

(8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

(8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one structure

CAS No:
14846-62-9
Formula:
C19H23NO4
Chemical Name:
(8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Synonyms:
4-nitroestrone 3-methyl ether;4-Nitroestrone 3-methyl ether;14846-62-9;CHEMBL43326;UNII-G484L3U0O2;G484L3U0O2;NSC321803;3-methoxy-4-nitro-estra-1,3,5(10)-trien-17-one;NSC 321803;SCHEMBL9362693;Estra-1,3,5(10)-trien-17-one, 3-methoxy-4-nitro-;DTXSID90163991;ZINC3780812;BDBM50028411;NCI-321803;NSC-321803;(8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;NCI60_002792;3-Methoxy-4-nitro-1,3,5(10)-estratrien-17-one;Estra-1,5[10]-trien-17-one, 3-methoxy-4-nitro-;Q27896339;3-Methoxy-13-methyl-4-nitro-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one

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Description

4-Nitroestrone 3-Methyl Ether is a synthetic derivative of estradiol. 4-nitroestrone 3-methyl ether inhibits estrogen sulfotransferase (EST), a progesterone-induced secretory endometrial enzyme which affects estrogen receptor levels. This agent has been shown to be an effective growth inhibitor of some chemically induced animal mammary tumors. (NCI04)

(8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Basic Attributes

Molecular Weight：

329.4 g/mol

Exact Mass：

329.16270821 g/mol

UNII：

G484L3U0O2

NSC Number：

321803

DSSTox ID：

DTXSID90163991

NCI Thesaurus Code：

C977

Characteristics

PSA：

72.1 Å²

Drug Information

MeSH Entry Terms：

4-nitroestrone 3-methyl ether

Computed Properties

Molecular Weight:329.4
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:329.16270821
Monoisotopic Mass:329.16270821
Topological Polar Surface Area:72.1
Heavy Atom Count:24
Complexity:544
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (8R,9S,13S,14S)-3-methoxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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