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Home > Encyclopedia > 2-BROMOESTRADIOL,(13S,17S)-2-BROMO-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL

2-BROMOESTRADIOL,(13S,17S)-2-BROMO-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL

2-BROMOESTRADIOL,(13S,17S)-2-BROMO-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL structure

2-BROMOESTRADIOL,(13S,17S)-2-BROMO-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL 

structure
  • CAS No:

    15833-07-5

  • Formula:

    C18H23BrO2

  • Chemical Name:

    2-BROMOESTRADIOL,(13S,17S)-2-BROMO-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL

  • Synonyms:

    2-bromoestra-1,3,5(10)-triene-3,17-diol;2-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;NSC105460;DTXSID80935902;STK784664;AKOS001633904;MCULE-2284912990;NSC-105460;EU-0074101;2-Bromoestra-1(10),2,4-triene-3,17-diol

Description

Yellow Solid

2-BROMOESTRADIOL,(13S,17S)-2-BROMO-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL Basic Attributes

351.27802

350.08800

105460

Characteristics

40.46000

4.37170

1.411g/cm3

447.3ºC at 760mmHg

224.3ºC

1.618

Safety Information

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-BROMOESTRADIOL,(13S,17S)-2-BROMO-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL Use and Manufacturing

17β-Estradiol (E888000) metabolite. An inhibitor of androstenedione aromatization, which is responsible for the conversion of androgens to estrogens. Agonistic ligands for the estrogen receptor in MCF-7 breast cancer cells.

Computed Properties

Molecular Weight:351.3
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:350.08814
Monoisotopic Mass:350.08814
Topological Polar Surface Area:40.5
Heavy Atom Count:21
Complexity:414
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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