Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]- 6'(3'H)-one,2,4'-dimethyl-,(1R,4R,5S)-

Modify Date: 2023-02-01 19:42:47

Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]- 6'(3'H)-one,2,4'-dimethyl-,(1R,4R,5S)- Structure
Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]- 6'(3'H)-one,2,4'-dimethyl-,(1R,4R,5S)- structure
Common Name Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]- 6'(3'H)-one,2,4'-dimethyl-,(1R,4R,5S)-
CAS Number 3329-91-7 Molecular Weight 221.29500
Density 1.155g/cm3 Boiling Point 369.859ºC at 760 mmHg
Molecular Formula C13H19NO2 Melting Point 54-55ºC
MSDS N/A Flash Point 146.466ºC

 Names

Name Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]- 6'(3'H)-one,2,4'-dimethyl-,(1R,4R,5S)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.155g/cm3
Boiling Point 369.859ºC at 760 mmHg
Melting Point 54-55ºC
Molecular Formula C13H19NO2
Molecular Weight 221.29500
Flash Point 146.466ºC
Exact Mass 221.14200
PSA 29.54000
LogP 1.67040
Index of Refraction 1.555

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JG5787500
CHEMICAL NAME :
Dioscorine
CAS REGISTRY NUMBER :
3329-91-7
LAST UPDATED :
198509
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H19-N-O2
MOLECULAR WEIGHT :
221.33
WISWESSER LINE NOTATION :
T66 A B AN DXTJ A1 D-& CT6VOX DHJ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 13,213,1958

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

(1R)-2,4'-dimethyl-3'H-(5exoO)-spiro[2-aza-bicyclo[2.2.2]octane-5,2'-pyran]-6'-one
3,6-Dioxabicyclo[3.2.1]octan-2-one,1-hydroxy-,(1R,5S)
(1R,5S)-1-hydroxy-3,6-dioxa-bicyclo[3.2.1]octan-2-one
(1R,5S)-2,4'-Dimethyl-3'H-spiro[2-aza-bicyclo[2.2.2]octan-5,2'-pyran]-6'-on
(1R,5S)-2,4'-dimethyl-3'H-spiro[2-aza-bicyclo[2.2.2]octane-5,2'-pyran]-6'-one
(1R)-1-hydroxy-3,6-dioxabicyclo<3.2.1>octan-2-one
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