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

[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate

[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate structure

CAS No:
148672-09-7
Formula:
C18H23NO4S
Chemical Name:
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
Synonyms:
Emate compound; Estra-1,3,5(10)-trien-17-one-3-sulfamate; 3-((Aminosulfonyl)oxy)estra-1,3,5(10)-trien-17-one; 3-sulfamoyloxyestra-1,3,5(10)-trien-17-one; Oestrone-3-O-sulphamate; 17-oxo-estra-1,3,5(10)-trien-3-yl sulfamate; EMATE; Estrone-3-sulfamate; Estra-1,3,5(10)-trien-17-one,3-((aminosulfonyl)oxy); estrone sulfamate; estrone-3-o-sulfamate;Expand

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

Molecular Weight：

349.44500

Exact Mass：

349.13477939 g/mol

NSC Number：

685426

Characteristics

PSA：

94.84000

XLogP3：

4.47520

Density：

1.314g/cm3

Melting Point：

195-197ºC

Boiling Point：

530.9ºC at 760mmHg

Flash Point：

274.9ºC

Refractive Index：

1.595

Storage Conditions：

-20ºC

Vapor Pressure：

2.35E-11mmHg at 25°C

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

EMATE compound

Computed Properties

Molecular Weight:349.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:349.13477939
Monoisotopic Mass:349.13477939
Topological Polar Surface Area:94.8
Heavy Atom Count:24
Complexity:627
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties
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