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Substance Name: Alfaxalone [INN:BAN:DCF:JAN]
RN: 23930-19-0
UNII: BD07M97B2A
InChIKey: DUHUCHOQIDJXAT-OLVMNOGESA-N

Note

  • Constituent of alphadione.

Molecular Formula

  • C21-H32-O3

Molecular Weight

  • 332.4808
 

Classification Codes

  • Anesthetics
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Hormone
  • Neurosteroids
  • Neurotransmitter Agents
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Names and Synonyms

Name of Substance

  • Alfaxalone [INN:BAN:DCF:JAN]
  • Alphaxalone

Synonyms

  • (3-alpha,5-alpha)-3-Hydroxypregnane-11,20-dione
  • 3-alpha-Hydroxy-5-alpha-pregnane-11,20-dione
  • 3-Hydroxypregnane-11,20-dione
  • 3alpha-Hydroxy-5alpha-pregnan-11,20-dion
  • 3alpha-Hydroxy-5alpha-pregnane-11,20-dione
  • 4-08-00-02091 (Beilstein Handbook Reference)
  • 5alpha-Pregnan-3alpha-ol-11,20-dione
  • Alfaxalona
  • Alfaxalona [INN-Spanish]
  • Alfaxalone
  • Alfaxalonum
  • Alfaxalonum [INN-Latin]
  • Alphaxalone
  • BRN 3217240
  • GR 2/234
  • UNII-BD07M97B2A

Systematic Names

  • 3alpha-Hydroxy-5alpha-pregnane-11,20-dione
  • 5-alpha-Pregnane-11,20-dione, 3-alpha-hydroxy-
  • Pregnane-11,20-dione, 3-hydroxy-, (3-alpha,5-alpha)-

Registry Numbers

CAS Registry Number

  • 23930-19-0

FDA UNII

  • BD07M97B2A

System Generated Number

  • 0023930190

Structure Descriptors

InChI

InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1

InChIKey

DUHUCHOQIDJXAT-OLVMNOGESA-N

Smiles

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 430mg/kg (430mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
mouse LD50 intravenous 36900ug/kg (36.9mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 1, Pg. 119, 1975.
mouse LD50 oral 880mg/kg (880mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 1337, 1977.
mouse LD50 subcutaneous 5220mg/kg (5220mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rabbit LD50 intravenous 9360ug/kg (9.36mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat LD50 intraperitoneal 116mg/kg (116mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat LD50 intravenous 19400ug/kg (19.4mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 1337, 1977.
rat LD50 oral 297mg/kg (297mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 680, 1977.
rat LD50 subcutaneous > 2200mg/kg (2200mg/kg)   Yakkyoku. Pharmacy. Vol. 28, Pg. 1337, 1977.