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Substance Name: Prednylidene [INN:BAN:DCF]
RN: 599-33-7
UNII: IF8PQP966U
InChIKey: WSVOMANDJDYYEY-CWNVBEKCSA-N

Molecular Formula

  • C22-H28-O5

Molecular Weight

  • 372.4582
 
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Names and Synonyms

Name of Substance

  • Prednylidene
  • Prednylidene [INN:BAN:DCF]

Synonyms

  • (11-beta)-11,17,21-Trihydroxy-16-methylenepregna-1,4-diene-3,20-dione
  • 16-Methyleneprednisolone
  • Dacorsol
  • Decortilen
  • EINECS 209-964-9
  • Prednilideno
  • Prednilideno [INN-Spanish]
  • Prednylidene
  • Prednylidenum
  • Prednylidenum [INN-Latin]
  • Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-16-methylene-
  • ST104
  • UNII-IF8PQP966U

Systematic Names

  • 11beta,17,21-Trihydroxy-16-methylenepregna-1,4-diene-3,20-dione
  • Prednylidene
  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-16-methylene-, (11-beta)-

Registry Numbers

CAS Registry Number

  • 599-33-7

FDA UNII

  • IF8PQP966U

System Generated Number

  • 0000599337

Structure Descriptors

InChI

1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1

InChIKey

WSVOMANDJDYYEY-CWNVBEKCSA-N

Smiles

[C@@H]12[C@@]([C@](C(=C)C2)(C(=O)CO)O)(C[C@@H]([C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7450mg/kg (7450mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 899, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 234 deg C   EXP
log P (octanol-water) 1.810 (none)   EST
Atmospheric OH Rate Constant 1.21E-10 cm3/molecule-sec 25 EST

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