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ESTRENONE

ESTRENONE structure

ESTRENONE 

structure
  • CAS No:

    3646-28-4

  • Formula:

    C18H26O

  • Chemical Name:

    ESTRENONE

  • Synonyms:

    4-ESTREN-17-ONE;ESTRENONE;oestr-4-en-17-one;Estrernone;(8R,9S,10R,13S,14S)-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one;Allylestrenol Impurity A;Estr-4-en-17-one(7CI,8CI,9CI);Allylestrenol Impurity 1

ESTRENONE Basic Attributes

258.4

258.40

222-878-6

Characteristics

17.07000

4.51830

1.06±0.1 g/cm3(Predicted)

113-115 °C(Solv: acetone (67-64-1); ligroine (8032-32-4))

381.9±41.0 °C(Predicted)

164.3ºC

1.546

Safety Information

P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, P501

H302

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 16 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

ESTRENONE Use and Manufacturing

Estr-4-en-17-one, is an impurity of Allylestrenol. It can be used in the synthesis of Ethylestrenol (E917830), an anabolic steroid.

Computed Properties

Molecular Weight:258.4
XLogP3:4
Hydrogen Bond Acceptor Count:1
Exact Mass:258.198365449
Monoisotopic Mass:258.198365449
Topological Polar Surface Area:17.1
Heavy Atom Count:19
Complexity:435
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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