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Substance Name: Prednival [USAN]
RN: 15180-00-4
UNII: 3NJ3X78O0C
InChIKey: BOFKYYWJAOZDPB-FZNHGJLXSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Glucocorticoid

Molecular Formula

  • C26-H36-O6

Molecular Weight

  • 444.5644
 
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Names and Synonyms

Name of Substance

  • Prednival
  • Prednival [USAN]

Synonyms

  • 11-beta,17-21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate
  • 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate
  • EINECS 239-228-2
  • Prednisolone 17-valerate
  • Prednival
  • Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-17-((1-oxopentyl)oxy)-, (11beta)-
  • UNII-3NJ3X78O0C
  • W 4869

Systematic Names

  • 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate
  • Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-17-((1-oxopentyl)oxy)-, (11beta)-
  • Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 17-valerate

Registry Numbers

CAS Registry Number

  • 15180-00-4

FDA UNII

  • 3NJ3X78O0C

System Generated Number

  • 0015180004

Structure Descriptors

InChI

1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1

InChIKey

BOFKYYWJAOZDPB-FZNHGJLXSA-N

Smiles

[C@]1([C@@]2([C@@H](CC1)[C@H]1[C@H]([C@H](C2)O)[C@@]2(C(=CC(=O)C=C2)CC1)C)C)(OC(=O)CCCC)C(=O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 490mg/kg (490mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

ENDOCRINE: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 195, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 211.5 deg C   EXP
log P (octanol-water) 3.610 (none)   EST
Atmospheric OH Rate Constant 7.54E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.