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Substance Name: Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt,
RN: 1990-07-4
InChIKey: OVXZVDMCQPLHIY-UHFFFAOYSA-L

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C10-H19-N-O5.1/2Ca

Molecular Weight

  • 504.586
 
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Names and Synonyms

  • Butanoic acid, 4-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt (2:1)
  • Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1)
  • Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt,

Registry Numbers

CAS Registry Number

  • 1990-07-4

Related Registry Number

  • 1977-33-9 (Parent)

System Generated Number

  • 0001990074

Molecular Formulas

Molecular Formula

  • C10-H19-N-O5.1/2Ca

Molecular Formula Fragments

  • C10-H19-N-O5
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H19NO5.Ca/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h2*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);/q;;+2/p-2

InChIKey

OVXZVDMCQPLHIY-UHFFFAOYSA-L

Smiles

C([C@@H](C(CO)(C)C)O)(NCCCC(=O)[O-])=O.C([C@@H](C(CO)(C)C)O)(NCCCC(=O)[O-])=O.[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 850mg/kg (850mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 20, Pg. 259, 1978.
mouse LD50 oral 6gm/kg (6000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 829, 1978.
mouse LD50 subcutaneous 2063mg/kg (2063mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 20, Pg. 259, 1978.
rat LD50 intraperitoneal 13500mg/kg (13500mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 829, 1978.
rat LD50 oral 13800mg/kg (13800mg/kg)   Medicamentos de Actualidad. Vol. 15, Pg. 98, 1979.
rat LD50 subcutaneous 5600mg/kg (5600mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 829, 1978.