Cornigerine

Modify Date: 2025-09-18 19:24:32

Cornigerine Structure
Cornigerine structure
Common Name Cornigerine
CAS Number 6877-25-4 Molecular Weight 383.39500
Density 1.35g/cm3 Boiling Point 744.5ºC at 760 mmHg
Molecular Formula C21H21NO6 Melting Point N/A
MSDS N/A Flash Point 404.1ºC

 Names

Name Acetamide, N-(4,6,7,8-tetrahydro-3,13-dimethyoxy-4-oxoheptaleno[1,2-f][1,3]benzodioxol-6-yl)-, (S)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.35g/cm3
Boiling Point 744.5ºC at 760 mmHg
Molecular Formula C21H21NO6
Molecular Weight 383.39500
Flash Point 404.1ºC
Exact Mass 383.13700
PSA 83.09000
LogP 2.97400
Index of Refraction 1.623
InChIKey DCYAJVOKJAFSES-UHFFFAOYSA-N
SMILES COc1c2c(cc3c1-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC3)OCO2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AC8587000
CHEMICAL NAME :
Acetamide, N-(4,6,7,8-tetrahydro-3,13-dimethoxy-4-oxoheptaleno(1 ,2-f)(1,3)benzodioxol- 6-yl)-, (S)-
CAS REGISTRY NUMBER :
6877-25-4
LAST UPDATED :
198406
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H21-N-O6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3721 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1365,1983

 Synthetic Route

~47%

Cornigerine Structure

Cornigerine

CAS#:6877-25-4

Literature: Kitajima, Mariko; Tanaka, Akiko; Kogure, Noriyuki; Takayama, Hiromitsu Tetrahedron Letters, 2008 , vol. 49, # 2 p. 257 - 260

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Cornigerine Structure

Cornigerine

CAS#:6877-25-4

Literature: Roesner, Manfred; Hsu, Fu-Lian; Brossi, Arnold Journal of Organic Chemistry, 1981 , vol. 46, # 18 p. 3686 - 3688

 Synonyms

(S)-6-(Acetylamino)-4,6,7,8-tetrahydro-3,13-dimethoxyheptaleno[1,2-f][1,3]benzodioxol-4-one
(-)-Comigerine
cornigerine
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