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Substance Name: Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)
RN: 75219-61-3
InChIKey: DAJHENFSHYPTMJ-TXDQRGGKSA-N

Molecular Formula

  • C27-H30-O5

Molecular Weight

  • 434.529
 
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Names and Synonyms

Synonym

  • KM 2404

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate 17-(hydroxyacetate)

Registry Numbers

CAS Registry Number

  • 75219-61-3

System Generated Number

  • 0075219613

Structure Descriptors

InChI

1S/C27H30O5/c1-27-14-13-21-20-10-8-19(31-26(30)17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(27)11-12-24(27)32-25(29)16-28/h2-6,8,10,15,21-24,28H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,27+/m1/s1

InChIKey

DAJHENFSHYPTMJ-TXDQRGGKSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CO)OC(=O)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 20, Pg. 3483, 1986.