N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide

Modify Date: 2024-01-20 22:11:33

N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide Structure
N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide structure
 Common Name N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide
CAS Number 82058-30-8 Molecular Weight 557.72400
Density 1.149g/cm3 Boiling Point 721.1ºC at 760 mmHg
Molecular Formula C37H39N3O2 Melting Point N/A
MSDS N/A Flash Point 389.9ºC

 Names

Name N-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.149g/cm3
Boiling Point 721.1ºC at 760 mmHg
Molecular Formula C37H39N3O2
Molecular Weight 557.72400
Flash Point 389.9ºC
Exact Mass 557.30400
PSA 61.44000
LogP 8.22930
Index of Refraction 1.601

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HM0341000
CHEMICAL NAME :
3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-
CAS REGISTRY NUMBER :
82058-30-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C37-H39-N3-O2
MOLECULAR WEIGHT :
557.79
WISWESSER LINE NOTATION :
T66 A AV DM INTJ B1 CR& ER& GR& HVM4 IR

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 :
3 gm/kg
TOXIC EFFECTS :
Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - muscle weakness Behavioral - antianxiety
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,187,1982

 Synthetic Route

2,4,6,8-Tetraphenyl-5-methyl-3,7-diazabicyclo[3.3.1]nonane-9-one structure

2,4,6,8-Tetraph...

CAS#:60823-94-1

1-Isocyanatobutane structure

1-Isocyanatobutane

CAS#:111-36-4

~27%

N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide Structure

N-butyl-1-methy...

CAS#:82058-30-8

Literature: Ribalta; Ribas; Martinez Tobed; et al. European Journal of Medicinal Chemistry, 1982 , vol. 17, # 2 p. 187 - 190

 Synonyms

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Chemsrc provides CAS#:82058-30-8 MSDS, density, melting point, boiling point, structure, etc. Its name is N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide>> amp version: N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide

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