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Substance Name: Methallenestril [INN:BAN]
RN: 517-18-0
UNII: XL025389JS
InChIKey: KHLJKRBMZVNZOC-UHFFFAOYSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C18-H22-O3

Molecular Weight

  • 286.369
 
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Names and Synonyms

Name of Substance

  • Methallenestril
  • Methallenestril [INN:BAN]

Synonyms

  • 3-(6-Methoxy-2-naphthyl)-2,2-dimethylpentanoic acid
  • 3-(6-Methoxy-2-naphthyl)-2,2-dimethylvaleriansaeure
  • 3-(6-Methoxy-2-naphthyl)-3-ethyl-2,2-dimethylpropionsaeure
  • beta-(6-Methoxy-2-naphthyl)-alpha,alpha-dimethylvaleric acid
  • beta-Ethyl-6-methoxy-alpha,alpha-dimethyl-2-naphthalenepropionic acid
  • EINECS 208-232-6
  • Ercostrol
  • HSDB 3358
  • Metalenestrilo
  • Metalenestrilo [INN-Spanish]
  • Metalenestrilo [Spanish]
  • Methallenestril
  • Methallenestrilum
  • Methallenestrilum [INN-Latin]
  • Methallenestrilum [Latin]
  • Methallenestrol
  • Methallenoestril
  • Methallenoestrolum
  • Novestrine
  • UNII-XL025389JS
  • Vallestril

Systematic Names

  • 2-Naphthalenepropanoic acid, beta-ethyl-6-methoxy-alpha,alpha-dimethyl- (9CI)
  • 2-Naphthalenepropionic acid, beta-ethyl-6-methoxy-alpha,alpha-dimethyl-
  • beta-Ethyl-6-methoxy-alpha,alpha-dimethyl-2-naphthalenepropionic acid
  • Methallenestril

Registry Numbers

CAS Registry Number

  • 517-18-0

FDA UNII

  • XL025389JS

System Generated Number

  • 0000517180

Structure Descriptors

InChI

1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)

InChIKey

KHLJKRBMZVNZOC-UHFFFAOYSA-N

Smiles

c1(cc2c(cc(OC)cc2)cc1)[C@@H](CC)C(C(O)=O)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 139.5 deg C   EXP
log P (octanol-water) 5.320 (none)   EST
Atmospheric OH Rate Constant 1.19E-10 cm3/molecule-sec 25 EST

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