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Substance Name: 18-Homoestriol
RN: 19882-03-2
InChIKey: KMVJBESLNMZCAQ-QKDSSNGWSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C19-H26-O3

Molecular Weight

  • 302.4114
 
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Names and Synonyms

Name of Substance

  • 18-Homoestriol

Synonyms

  • 18-Homo-estriol
  • 18-Homo-oestriol
  • NSC 111636
  • WY-5090

Systematic Name

  • Gona-1,3,5(10)-triene-3,16-alpha,17-beta-triol, 13-ethyl-

Registry Numbers

CAS Registry Number

  • 19882-03-2

System Generated Number

  • 0019882032

Structure Descriptors

InChI

1S/C19H26O3/c1-2-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(19)10-17(21)18(19)22/h4,6,9,14-18,20-22H,2-3,5,7-8,10H2,1H3/t14-,15-,16+,17-,18+,19+/m1/s1

InChIKey

KMVJBESLNMZCAQ-QKDSSNGWSA-N

Smiles

CC[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5010mg/kg (5010mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat LD50 oral 5010mg/kg (5010mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.