Rugulosin((+)-Rugulosin)

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Names

[ CAS No. ]:
23537-16-8

[ Name ]:
Rugulosin((+)-Rugulosin)

[Synonym ]:
(5aS:17S:20S)-1.7.9.15.17.20-hexahydroxy-5.8.13.16-tetraoxo-5.8.13.16-tetrahydro-6H.14H-6c.13ac.!5ar.14c-[1.2.3.4]butanetetrayl-cycloocta[1.2-b:5.6-b']dinaphthalene
(+)-Rugulosin,(1S,1S,2R,2R,3S,3S,9aR,9aR)-Rugulosin,(2R,2R)-Rugulosin
5H,6H-6,13A,5A,14-[1,2,3,4]Butanetetraylcycloocta[1,2-B:5,6-B']dinaphthalene-5,8,13,16(14H)-tetrone,1,7,9,15,17,20-hexahydroxy-3,11-dimethyl-,[5as-(5ar*,6S*,13ar*,14S*,17R*,18S*,19S*,20R*)]
(+)-rugulosin
(5aS:17S:20S)-1.7.9.15.17.20-Hexahydroxy-5.8.13.16-tetraoxo-5.8.13.16-tetrahydro-6H.14H-6c.13ac.!5ar.14c-[1.2.3.4]butantetryl-cycloocta[1.2-b:5.6-b']dinaphthalin
5H,6H-6,13A,5A,14-[1,2,3,4]Butanetetraylcycloocta[1,2-B:5,6-B']dinaphthalene-5,8,13,16(14H)-tetrone,1,7,9,15,17,20-hexahydroxy-3,11-dimethyl

Chemical & Physical Properties

[ Density]:
1.87g/cm3

[ Boiling Point ]:
980ºC at 760mmHg

[ Molecular Formula ]:
C30H22O10

[ Molecular Weight ]:
542.49000

[ Flash Point ]:
560.3ºC

[ Exact Mass ]:
542.12100

[ PSA ]:
189.66000

[ LogP ]:
2.01080

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.868

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VM1610000
CHEMICAL NAME :
Rugulosin
CAS REGISTRY NUMBER :
23537-16-8
LAST UPDATED :
199510
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C30-H22-O10
MOLECULAR WEIGHT :
542.52

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 :
44 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - coma Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - coma Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1100 mg/kg/22D-C
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4400 mg/kg/1Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
DOSE/DURATION :
100 umol/L
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 22,2258,1974 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,99,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,99,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW LLOYA2 Lloydia. (Cincinnati, OH) V.1-41, 1938-78. For publisher information, see JNPRDF. Volume(issue)/page/year: 38,21,1975 TOXICOLOGY REVIEW ARMIAZ Annual Review of Microbiology. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.1- 1947- Volume(issue)/page/year: 26,279,1972

Related Compounds

  • (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine
  • (R)-(+)-3-methyl-3-(2-methoxycarbonylethyl)-4-thianone
  • [S,(+)]-4,6-Dihydro-8-hydroxy-6-oxo-3-pentyl-3H-2-benzopyran-7-carboxylic acid
  • (S)-(+)-2-(3-nitrobenzyl)propionic acid
  • (S)-(+)-2-(p-tolylsulfinyl)-2-cyclohexenone
  • (S)-(+)-cryptostyline II
  • 4-Cyclopentyl-6-[(piperidin-4-yl)methoxy]pyrimidine
  • 2-[1-[[1-[Difluoro(1,1,2,2,2-pentafluoroethoxy)methyl]-1,2,2,2-tetrafluoroethoxy]difluoromethyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
  • Potassium;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonate
  • 3-{1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopent-2-en-1-yl]-N-(propan-2-yl)formamido}propanoic acid
  • tert-butyl N-[4-(2-amino-3-hydroxypropyl)-2-methylphenyl]carbamate
  • tert-butyl N-[3-amino-2-(2-chloro-5-methylphenyl)-2-methylpropyl]carbamate
  • 2-({2-[6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylheptanamido]ethyl}sulfanyl)acetic acid
  • Diammonium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-sulfonatoethoxy)propoxy]propanoate
  • 6-[(Tert-butoxy)carbonyl]-6-azaspiro[3.4]oct-1-ene-2-carboxylicacid
  • (2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(2E,5S,6R,7E)-5-hydroxy-6-methyl-8-phenylocta-2,7-dienoyl]amino]propanoyl]amino]-2-methylpropanoic acid
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