2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

Names

[ CAS No. ]:
76191-52-1

[ Name ]:
2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid

[Synonym ]:
Benzoic acid,2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl
WS-5995 B
2-(5-hydroxy-1,4-naphthoquinon-2-yl)-3-methoxy-5-methylbenzoic acid
Antibiotic WS 5995B
2-(1,4-Dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid

Chemical & Physical Properties

[ Density]:
1.433g/cm3

[ Boiling Point ]:
626.2ºC at 760 mmHg

[ Molecular Formula ]:
C19H14O6

[ Molecular Weight ]:
338.31100

[ Flash Point ]:
231.5ºC

[ Exact Mass ]:
338.07900

[ PSA ]:
100.90000

[ LogP ]:
2.87000

[ Index of Refraction ]:
1.665

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG8576080
CHEMICAL NAME :
Benzoic acid, 2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3- methoxy-5-methyl-
CAS REGISTRY NUMBER :
76191-52-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C19-H14-O6
MOLECULAR WEIGHT :
338.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1107,1980
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1107,1980

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 4-(Oxiran-2-yl)piperidine hydrochloride
  • (7-Fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine dihydrochloride
  • 3-(Oxiran-2-yl)pyrrolidine hydrochloride
  • (6S,9S,12S,15S)-Methyl 9-((S)-sec-butyl)-6-(4-methoxybenzyl)-2,2-dimethyl-4,7,10,13-tetraoxo-15-(2-oxo-2-(tritylamino)ethyl)-12-(3-oxo-3-(tritylamino)propyl)-3-oxa-5,8,11,14-tetraazahexadecan-16-oate
  • rel-(4aR,8aR)-2-(6-Chloro-8-methylquinolin-4-yl)octahydro-2,7-naphthyridin-4a(2H)-ol
  • tert-Butyl 4-(7-bromoheptyl)piperidine-1-carboxylate
  • Rel-tert-butyl (2R,3R)-3-(fluoromethyl)-2-methylazetidine-1-carboxylate
  • 4-Methyl-5-(methylthio)picolinic acid
  • [(2R,3R,4S,5R,6R)-3-[[(4aR,6S,7R,8S,8aS)-7,8-diacetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-diacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate
  • Tetrafluorophenyl-succinyl Ferrioxamine B
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