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3329-91-7

3329-91-7 structure

3329-91-7 structure

Name: Spiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]- 6'(3'H)-one,2,4'-dimethyl-,(1R,4R,5S)-
Chemical 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 Formula: C₁₃H₁₉NO₂
Molecular Weight: 221.29500
Create Date: 2016-11-19 01:51:17
Modify Date: 2024-10-12 14:02:19

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

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

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

535-83-1 structure

535-83-1

~%

3329-91-7 structure

3329-91-7

Literature: Leete, Edward; Michelson, Robert H. Phytochemistry (Elsevier), 1988 , vol. 27, # 12 p. 3793 - 3798

Precursor 1
535-83-1
DownStream 0

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