 Home > Encyclopedia > 1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one

1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one

1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one structure

CAS No:
50302-72-2
Formula:
C30H30FN3O
Chemical Name:
1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one
Synonyms:
Butyrophenone, 4'-fluoro-4-(6-phenyl-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2-yl)-, (E)-(+-)-;50302-72-2;BRN 5326811;DTXSID40198314

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1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one Basic Attributes

Molecular Weight：

467.6 g/mol

Exact Mass：

467.23729075 g/mol

DSSTox ID：

DTXSID40198314

Characteristics

PSA：

39.3 Å²

XLogP3：

5.4776

Melting Point：

94 - 96 °C

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	600 mg/kg	Behavioral--altered sleep time (including change in righting reflex) Behavioral--somnolence (general depressed activity) Behavioral--ataxia	Indian Journal of Chemistry. (New Delhi, India) V.1-13, 1963-75. Divided into Indian Journal of Chemistry, Section A and Indian Journal of Chemistry, Section B. Volume(issue)/page/year: 11,417,1973

Computed Properties

Molecular Weight:467.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:467.23729075
Monoisotopic Mass:467.23729075
Topological Polar Surface Area:39.3
Heavy Atom Count:35
Complexity:718
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: tert-butanol; ammonium bicarbonate; ag2o; n-methyl-2-pyrrolidone; structure isopropyl; bromo 108.com

Guide of 1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one

Basic Attributes
Characteristics
Toxicity
Computed Properties

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