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Substance Name: Estriol 3-benzoate 16,17-diacetate
RN: 2508-47-6
UNII: 64EY62BBUA
InChIKey: VQHGRIUWSVCJPX-HSZAMCLRSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C29-H32-O6

Molecular Weight

  • 476.5658
 
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Names and Synonyms

Results Name

  • Estriol 3-benzoate 16,17-diacetate

Name of Substance

  • Estriol diacetate benzoate

Synonyms

  • Estriol 3-benzoate 16,17-diacetate
  • UNII-64EY62BBUA

Systematic Name

  • Estra-1,3,5(10)-triene-3,16-alpha,17-beta-triol, 3-benzoate, 16,17-diacetate

Registry Numbers

CAS Registry Number

  • 2508-47-6

FDA UNII

  • 64EY62BBUA

System Generated Number

  • 0002508476

Structure Descriptors

InChI

1S/C29H32O6/c1-17(30)33-26-16-25-24-11-9-20-15-21(35-28(32)19-7-5-4-6-8-19)10-12-22(20)23(24)13-14-29(25,3)27(26)34-18(2)31/h4-8,10,12,15,23-27H,9,11,13-14,16H2,1-3H3/t23-,24-,25+,26-,27+,29+/m1/s1

InChIKey

VQHGRIUWSVCJPX-HSZAMCLRSA-N

Smiles

CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@@]2([C@H]1OC(=O)C)C)OC(=O)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 250mg/kg (250mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 748, 1973.