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Basic information

  • Name:
  • Estriol

  • CAS No.:
  • 50-27-1

  • Molecular Structure:
  • Formula:
  • C18H24O3
  • Molecular Weight:
  • 288.39
  • Synonyms:
  • 1,3,5-Oestratriene-3beta,16alpha,17beta-triol;NSC-12169;1,3,5(10)-Estratriene-3,16-alpha,17beta-triol;(16.alpha.,17.beta.)-Oestra-1,3,5(10)-triene-3,16,17-triol;16.alpha.-Hydroxyestradiol;16.alpha.,17.beta.-Estriol;1,3,5-Estratriene-3beta,16alpha,17beta-triol;1,3, 5(10)-Estratriene-3,16.alpha., 17.beta.-triol;Estra-1,3,5(10)-triene-3,16,17-triol,(16R,17a)-;Estra-1,3,5(10)-trien-3, 16.alpha., 17.beta.-triol;16-alpha-Hydroxyoestradiol;16.alpha.-Estriol;16alpha-Hydroxy-17beta-estradiol;Triovex;Ovestrion;Oestra-1,3,5(10)-triene-3,16alpha,17beta-triol;3, 16.alpha.,17.beta.-Estriol;Synapause;Klimoral;Folicular hormone;16-alpha-Hydroxyestradiol;3,16.alpha., 17.beta.-Trihydroxy-1,3,5(10)-estratriene;Hemostyptanon;Estra-1,3,5(10)-triene-3,16,17-triol, (16alpha,17beta)-;Estra-1,3,5(10)-trien-3,16alpha,17beta-triol;Estriolo [Italian];Tridestrin;Estra-1,3,5(10)-trien-3,16.alpha., 17.beta.-triol;3,16-alpha,17-beta-Oestriol;3,16-alpha,17-beta-Estriol;Oestra-1,3,5(10)-triene-3,16.alpha., 17.beta.-triol;Aacifemine;16.alpha.,17.beta.-Oestriol;Deuslon-A;Oestratriol;3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene;3,16.alpha., 17.beta.-Trihydroxy-.delta.-1,3,5-oestratriene;16.alpha.-Hydroxyoestradiol;3,16alpha,17beta-Trihydroxy-delta-1,3,5-oestratriene;A 13610;Oestriolum;Trihydroxyoestrin;Holin V;Thulol;Triodurin;Orestin;Estra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol;Oestriol [Steroidal oestrogens];Overstin;Orgastyptin;Ovestin;Estriel;(16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol;Theelol;Stiptanon;(16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol;
  • EINECS:
  • 200-022-2
  • Density:
  • 1.255 g/cm3
  • Melting Point:
  • 280-282 °C(lit.)
  • Boiling Point:
  • 469 °C at 760 mmHg
  • Flash Point:
  • 220.8 °C
  • Appearance:
  • White crystalline powder
  • Hazard Symbols:
  • ToxicT
  • Risk Codes:
  • 60-61-40-45
  • Safety Description:
  • 53-22-36/37/39-45-36/37 Details

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Chemistry

Product Name: Estriol (CAS NO.50-27-1)

Molecular formula :C18H24O3
Molecular Weight: 288.38g/mol
Index of Refraction: 1.624 
Molar Refractivity: 81.09 cm3 
Molar Volume: 229.6 cm3 
Surface Tension:  53.8 dyne/cm 
Density: 1.255 g/cm3 
Flash Point: 220.8 °C 
Enthalpy of Vaporization: 77.05 kJ/mol 
Boiling Point: 469 °C at 760 mmHg 
Vapour Pressure: 1.34E-09 mmHg at 25°C 
XLogP3-AA: 2.5
H-Bond Donor: 3
H-Bond Acceptor: 3
Structure Descriptors of Estriol (CAS NO.50-27-1):
  IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
  Canonical SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
  Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
  InChI: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 
  InChIKey: PROQIPRRNZUXQM-ZXXIGWHRSA-N
Product Categories: Steroids; Hormone; Biochemistry; Hydroxysteroids; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals


   

Uses

According to researchers at UCLA's Geffen Medical School,In pregnant women with multiple sclerosis (MS), estriol reduces the disease's symptoms noticeably. Estriol (CAS NO.50-27-1) can be measured in maternal blood or urine,then it can be used as a marker of fetal health and wellbeing. Estriol also can be used in the treatment of prostate disease,it also have certain curative effect for leukopenia and prostate hypertrophy.

Production

   ESTRIOL is only produced in significant amounts during pregnancy as it is made by the fetal liver from 16-OHDHEAS, an androgen steroid made in the fetal adrenal glands.

Toxicity Data With Reference

1.    

cyt-ham:ovr 50 µmol/L

    TOLED5    Toxicology Letters. 29 (1985),201.
2.    

imp-gpg TDLo:20 mg/kg:ETA,TER

    RBBIAL    Revista Brasileira de Biologia. 5 (1945),1.

 

Consensus Reports

IARC Cancer Review: Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 327.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 327.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 6 , 1974,p. 117.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. Other experimental reproductive effects. Mutation data reported. A steroid drug for the treatment of menopause. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes : T (Toxic)Toxic
Risk Statements :
  R60-61-40-45 (May impair fertility;May cause harm to the unborn child;Limited evidence of a carcinogenic effect;May cause cancer)
Safety Statements : 
  S53-22-36/37/39-45-36/37 (Avoid exposure - obtain special instruction before use;Do not breathe dust;Wear suitable protective clothing, gloves and eye/face protection;In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);Wear suitable protective clothing and gloves)
WGK Germany : 3

Specification

 Estriol , its CAS NO. is 50-27-1, the synonyms are 1,3,5(10)-Estratriene-3,16a,17b-triol ; Estra-1,3,5(10)-triene-3,16alpha,17beta-triol . 

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