Acevaltrate

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Names

[ CAS No. ]:
25161-41-5

[ Name ]:
Acevaltrate

[Synonym ]:
Acevaltrate
(1S,6S,7R,7aS)-4-(Acetoxymethyl)-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-acetoxy-3-methylbutanoate
Acetoxyvaltrate
EINECS 246-685-1
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)
Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6-yl ester
Acevaltratum
3-(Acetyloxy)-3-methylbutanoic acid (1S-(1a,6a,7b,7aa))-4-((Acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro(cyclopenta[c]pyran-7(1H),2'-oxiran)-6-yl Ester
Acetovaltrate
(1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-(acetyloxy)-3-methylbutanoate

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
538.7±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C24H32O10

[ Molecular Weight ]:
480.505

[ Flash Point ]:
229.0±30.2 °C

[ Exact Mass ]:
480.199554

[ PSA ]:
126.96000

[ LogP ]:
1.91

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.531

[ Storage condition ]:
2-8C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK7713300
CHEMICAL NAME :
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))-
CAS REGISTRY NUMBER :
25161-41-5
LAST UPDATED :
199703
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C24-H32-O10
MOLECULAR WEIGHT :
480.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476

Related Compounds

  • 1-(Methanesulfonylmethyl)cyclopropane-1-carbonitrile
  • 4-(((Cyclobutylmethyl)amino)methyl)-3-fluorophenol
  • 2-Amino-5-(methylsulfonyl)-4-phenylthiophene-3-carbonitrile
  • 2-Amino-4-(4-bromophenyl)-5-(methylsulfonyl)thiophene-3-carbonitrile
  • 2-Amino-5-(ethylsulfonyl)-4-(o-tolyl)thiophene-3-carbonitrile
  • 2-Amino-5-(ethylsulfonyl)-4-(m-tolyl)thiophene-3-carbonitrile
  • 4-(3-Chlorophenyl)-5-(methylsulfonyl)-1H-thieno[2,3-c]pyrazol-3-amine
  • 4-(4-Bromophenyl)-5-(ethylsulfonyl)-1H-thieno[2,3-c]pyrazol-3-amine
  • 6-(1H-imidazol-1-yl)pyridin-2-ol
  • 3-((Methylsulfonyl)methyl)-4-nitrobenzoic acid
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