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Substance Name: Pregna-4,17(20)-dien-21-oicacid,16beta-hydroxy-3,11-dioxo-,gamma-lactone
RN: 337-68-8
UNII: 7N156ROQ1C
InChIKey: ZSTUPTXHZDSIBS-YQKDJMEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-O4

Molecular Weight

  • 356.4156
 
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Names and Synonyms

Name of Substance

  • Pregna-4,17(20)-dien-21-oicacid,16beta-hydroxy-3,11-dioxo-,gamma-lactone

Synonyms

  • 16-beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
  • BRN 1297816
  • NSC 88535
  • UNII-7N156ROQ1C

Systematic Name

  • Pregna-4,17(20)-dien-21-oic acid, 16-beta-hydroxy-3,11-dioxo-, gamma-lactone

Registry Numbers

CAS Registry Number

  • 337-68-8

FDA UNII

  • 7N156ROQ1C

System Generated Number

  • 0000337688

Structure Descriptors

InChI

1S/C21H24O5/c1-20-6-5-11(22)7-10(20)3-4-12-16(20)14(23)9-21(2)13-8-15(24)26-19(17(12)21)18(13)25/h7-8,12,16-19,25H,3-6,9H2,1-2H3/t12-,16-,17-,18?,19?,20+,21-/m1/s1

InChIKey

ZSTUPTXHZDSIBS-YQKDJMEDSA-N

Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3C5C(C4=CC(=O)O5)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 79mg/kg (79mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 348, 1964.