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Substance Name: Estrone p-nitrobenzoate
RN: 41623-27-2
InChIKey: HSVAEISJKGHUGC-UHFFFAOYSA-N

Classification Code

  • Hormone

Molecular Formula

  • C25-H25-N-O5

Molecular Weight

  • 419.474
 
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Names and Synonyms

Results Name

  • Estrone p-nitrobenzoate

Synonyms

  • 3-Hydroxyestra-1,3,5(10)-trien-17-one p-nitrobenzoate
  • Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, p-nitrobenzoate
  • Estrone, p-nitrobenzoate
  • NSC 94683

Systematic Names

  • Estra-1,3,5(10)-trien-17-one, 3-((4-nitrobenzoyl)oxy)- (9CI)
  • Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, p-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 41623-27-2

System Generated Number

  • 0041623272

Structure Descriptors

InChI

1S/C25H25NO5/c1-25-13-12-20-19-9-7-18(31-24(28)15-2-5-17(6-3-15)26(29)30)14-16(19)4-8-21(20)22(25)10-11-23(25)27/h2-3,5-7,9,14,20-22H,4,8,10-13H2,1H3

InChIKey

HSVAEISJKGHUGC-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@H](c3c(cc(OC(c4ccc([N+](=O)[O-])cc4)=O)cc3)C1)CC[C@@]1([C@@H]2CCC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04649,