1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid

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Names

[ CAS No. ]:
121625-72-7

[ Name ]:
1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid

[Synonym ]:
c 9001-go

Chemical & Physical Properties

[ Density]:
1.15g/cm3

[ Boiling Point ]:
471.1ºC at 760mmHg

[ Molecular Formula ]:
C17H25NO3

[ Molecular Weight ]:
291.38500

[ Flash Point ]:
238.7ºC

[ Exact Mass ]:
291.18300

[ PSA ]:
59.30000

[ LogP ]:
3.23470

[ Vapour Pressure ]:
1.11E-09mmHg at 25°C

[ Index of Refraction ]:
1.561

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3367940
CHEMICAL NAME :
1H-Indole-3-acetic acid, 4,5,6,7-tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-tri methyl-
CAS REGISTRY NUMBER :
121625-72-7
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C17-H25-N-O3
MOLECULAR WEIGHT :
291.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 39,548,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 39,548,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 39,548,1989

Related Compounds

  • 2-(3-Chloro-4-methylthiophen-2-yl)pyrrolidine
  • (S)-2-Amino-3-(2-chloro-3-fluorophenyl)propanoic acid
  • 1,1,1-Trifluoro-N-(4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)methanesulfonamide
  • 4-Chloro-6-(5-fluoropyridin-3-yl)pyrimidine
  • (S)-6-((1-Methoxy-1-oxopropan-2-yl)amino)-6-oxohexanoic acid
  • 2-Chloro-6-(2-fluorophenyl)pyrazine
  • 1-Chloro-2-methyl-3-(propan-2-yloxy)propane
  • (3S)-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
  • (S)-6-((1-Methoxy-3-methyl-1-oxobutan-2-yl)amino)-6-oxohexanoic acid
  • Ethyl 3-[bis(4-chlorophenyl)methyl]indole-2-carboxylate
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