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Substance Name: Pregn-4-ene-3,11-dione, 17-hydroxy-17-((p-hydroxyphenylimino)acetyl)-
RN: 96869-58-8
InChIKey: WVQVYUWBNLSWFU-WVHHPEMVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N-O5

Molecular Weight

  • 449.5439
 
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Names and Synonyms

Synonyms

  • 17-Hydroxy-17-((p-hydroxyphenylimino)acetyl)pregn-4-ene-3,11-dione
  • 4-Pregnene-3,11-dion-17-ol-17-glyoxilidene p-aminophenyl
  • BRN 2684097

Systematic Name

  • Pregn-4-ene-3,11-dione, 17-hydroxy-17-((p-hydroxyphenylimino)acetyl)-

Registry Numbers

CAS Registry Number

  • 96869-58-8

System Generated Number

  • 0096869588

Structure Descriptors

InChI

1S/C27H31NO5/c1-25-11-9-19(30)13-16(25)3-8-20-21-10-12-27(33,26(21,2)14-22(31)24(20)25)23(32)15-28-17-4-6-18(29)7-5-17/h4-7,13,15,20-21,24,29,33H,3,8-12,14H2,1-2H3/b28-15-/t20-,21-,24+,25-,26-,27-/m0/s1

InChIKey

WVQVYUWBNLSWFU-WVHHPEMVSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)/C=N\c5ccc(cc5)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1500mg/kg (1500mg/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASED IMMUNE RESPONSE Journal of Medicinal Chemistry. Vol. 7, Pg. 673, 1964.