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Substance Name: Moxestrol [INN:DCF]
RN: 34816-55-2
UNII: 6923NT44OW
InChIKey: MTMZZIPTQITGCY-OLGWUGKESA-N

Classification Codes

  • Estrogen Antagonists
  • Estrogen Receptor Modulators
  • Hormone
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C21-H26-O3

Molecular Weight

  • 326.4334
 
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Names and Synonyms

Name of Substance

  • Moxestrol
  • Moxestrol [INN:DCF]

Synonyms

  • 11-beta-Methoxy-17-alpha-ethinylestradiol
  • 11-beta-Methoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 11beta-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-in-3,17-diol
  • 17alpha-Ethinyl-11beta-methoxy-1,3,5(10)-estratrien-3,17-diol
  • BRN 4264994
  • CCRIS 7199
  • Moxestrol
  • Moxestrolum
  • Moxestrolum [INN-Latin]
  • R 2858
  • RU 2858
  • Surestryl
  • UNII-6923NT44OW

Systematic Names

  • 11beta-Methoxy-19-nor-17alpha-pregna-1,3,5-(10)-trien-20-yne-3,17-diol
  • 11beta-Methoxyethinylestradiol
  • 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol, 11-beta-methoxy-
  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 11-methoxy-, (11-beta,17-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 34816-55-2

FDA UNII

  • 6923NT44OW

System Generated Number

  • 0034816552

Structure Descriptors

InChI

1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1

InChIKey

MTMZZIPTQITGCY-OLGWUGKESA-N

Smiles

C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 280 deg C   EXP
log P (octanol-water) 3.01 (none)   EXP
Water Solubility 284 mg/L 25 EST
Vapor Pressure 5.21E-10 mm Hg 25 EST
Henry's Law Constant 9.29E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.42E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.