1-Naphthalenecarboxaldehyde,7-[2,10-dihydroxy-5,13-dimethyl-3,11-bis(1-methylethyl)-1,9-dioxo-14-[1,6,7-trihydroxy-8-(iminomethyl)-3-methyl-5-(1-methylethyl)-2-naphthalenyl]-1H,9H-dinaphtho[1,8-bc:1',

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Names

[ CAS No. ]:
21891-57-6

[ Name ]:
1-Naphthalenecarboxaldehyde,7-[2,10-dihydroxy-5,13-dimethyl-3,11-bis(1-methylethyl)-1,9-dioxo-14-[1,6,7-trihydroxy-8-(iminomethyl)-3-methyl-5-(1-methylethyl)-2-naphthalenyl]-1H,9H-dinaphtho[1,8-bc:1',

[Synonym ]:
gossypolone
Glossypol tetrone deriv.

Chemical & Physical Properties

[ Density]:
1.52g/cm3

[ Molecular Formula ]:
C60H56N2O13

[ Molecular Weight ]:
1013.09000

[ Exact Mass ]:
1012.38000

[ PSA ]:
278.97000

[ LogP ]:
13.51260

[ Index of Refraction ]:
1.769

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QJ0200000
CAS REGISTRY NUMBER :
21891-57-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C60-H56-N2-O13

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 :
6680 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Liver - other changes Kidney, Ureter, Bladder - other changes
REFERENCE :
JAOCA7 Journal of the American Oil Chemists' Society. (Champaign, IL) V.24-56, 1947-79. Volume(issue)/page/year: 40,14,1963

Synthetic Route

Precursor & DownStream

Precursor

  • Gossypol

DownStream