54080-21-6

54080-21-6 structure
54080-21-6 structure

Name 8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms 8-(3-(2-p-Fluorophenyl-2-dioxolanyl)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane
1-phenyl-8-[3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
8-<3-<2-(4-fluorophenyl)-1,3-dioxolan-2-yl>propyl>-1-phenyl-1,3,8-triazaspiro<4.5>decan-4-one
spiperone ketal
1,3,8-Triazaspiro(4.5)decan-4-one,8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl
Density 1.29g/cm3
Boiling Point 628.3ºC at 760mmHg
Molecular Formula C25H30FN3O3
Molecular Weight 439.52200
Flash Point 333.8ºC
Exact Mass 439.22700
PSA 54.04000
LogP 3.56570
Index of Refraction 1.627

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XX9170000
CHEMICAL NAME :
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1- phenyl-
CAS REGISTRY NUMBER :
54080-21-6
BEILSTEIN REFERENCE NO. :
0634001
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H30-F-N3-O3
MOLECULAR WEIGHT :
439.58
WISWESSER LINE NOTATION :
T6N DXTJ A3- BT5O COTJ BR DF&& D-& CT5MVXN EHJ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11746

~79%

54080-21-6 structure

54080-21-6

Literature: Khorana, Nantaka; Bondarev, Mikhail; Dukat, Malgorzata; Herrick-Davis, Katharine; Egan, Christina; DuPre, Ann; Smith, Carol; Teitler, Milt; Glennon, Richard A. Medicinal Chemistry Research, 1999 , vol. 9, # 9 p. 657 - 667
Precursor  2

DownStream  0