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Substance Name: Acevaltrate [INN]
RN: 25161-41-5
UNII: S9MFK45GY9
InChIKey: FWKBQAVMKVZEOT-STCFVSJZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-O10

Molecular Weight

  • 480.5068
 
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Names and Synonyms

Name of Substance

  • Acevaltrate
  • Acevaltrate [INN]

Synonyms

  • (Acetyloxy)valepotriate
  • 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H), 2'-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate, acetate)
  • 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate acetate
  • 4-Acetoxymethyl-1,6,7,7a-tetrahydrocyclopenta(c)pyran-7-spiro-2'-oxiran-1,8-diyl 6-(beta-acetoxyisovalerat) 1-isovalerat oder 1-(beta-acetoxyisovalerat) 6-isovalerat
  • Acetovaltrate
  • Acetoxyvaltrate
  • Acevaltrat
  • Acevaltrat [German]
  • Acevaltrate
  • Acevaltrato
  • Acevaltrato [INN-Spanish]
  • Acevaltratum
  • Acevaltratum [INN-Latin]
  • EINECS 246-685-1
  • UNII-S9MFK45GY9

Systematic Names

  • 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H), 2'-oxirane)-4-methanol 4-acetate 1(or 6)-isovalerate 6(or 1)-(3-hydroxy-3-methylbutyrate, acetate)
  • Acevaltrate
  • Butanoic acid, 3-(acetyloxy)-3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-6-yl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-

Registry Numbers

CAS Registry Number

  • 25161-41-5

FDA UNII

  • S9MFK45GY9

Other Registry Numbers

  • 23067-35-8
  • 28325-58-8
  • 30584-21-5
  • 31244-57-2

System Generated Number

  • 0025161415

Structure Descriptors

InChI

1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1

InChIKey

FWKBQAVMKVZEOT-STCFVSJZSA-N

Smiles

[C@@]12(CO1)[C@H]1[C@@H](OC=C(C1=C[C@@H]2OC(=O)CC(C)(C)OC(=O)C)COC(=O)C)OC(=O)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   United States Patent Document. Vol. #3869476,
mouse LD50 oral 7500mg/kg (7500mg/kg)   United States Patent Document. Vol. #3869476,
rat LD50 intraperitoneal 65mg/kg (65mg/kg)   United States Patent Document. Vol. #3869476,