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Substance Name: Halopredone acetate [USAN:JAN]
RN: 57781-14-3
UNII: 24NUL39JY1
InChIKey: YCISZOVUHXIOFY-HKXOFBAYSA-N

Classification Codes

  • Anti-Inflammatory (Topical)
  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C25-H29-Br-F2-O7

Molecular Weight

  • 559.3971
 
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Names and Synonyms

Name of Substance

  • Halopredone acetate
  • Halopredone acetate [USAN:JAN]

Synonyms

  • 17,21-Bis(acetyloxy)-2-bromo-6-beta,9-difluoro-11-beta-hydroxypregna-1,4-dien-3,20-dione
  • 2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-diacetate
  • CCRIS 2685
  • EINECS 260-951-4
  • Halopredone 17,21-diacetate
  • Halopredone acetate
  • Halopredone diacetate
  • THS-201
  • UNII-24NUL39JY1

Systematic Names

  • 17,21-Bis(acetyloxy)-2-bromo-6beta,9-difluoro-11beta-hydroxypregna-1,4-diene-3,20-dione
  • 2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
  • Halopredone acetate
  • Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-6,9-difluoro-11-hydroxy-, (6beta,11beta)-

Registry Numbers

CAS Registry Number

  • 57781-14-3

FDA UNII

  • 24NUL39JY1

System Generated Number

  • 0057781143

Structure Descriptors

InChI

1S/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3/t14-,15-,18+,20-,22-,23-,24-,25-/m0/s1

InChIKey

YCISZOVUHXIOFY-HKXOFBAYSA-N

Smiles

CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)F)O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 839, 1990.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 839, 1990.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 839, 1990.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 839, 1990.
rat LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 839, 1990.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 839, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 291 dec deg C   EXP
log P (octanol-water) 2.520 (none)   EST
Atmospheric OH Rate Constant 5.20E-11 cm3/molecule-sec 25 EST

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