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2-[(6aR,9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile

2-[(6aR,9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile structure

CAS No:
56867-81-3
Formula:
C16H16ClN3
Chemical Name:
2-[(6aR,9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile
Synonyms:
desmethyl lergotrile;N-desmethyl lergotrile;56867-81-3;N-Desmethyl lergotrile;Desmethyl lergotrile;DTXSID00972293;(2-Chloroergolin-8-yl)acetonitrile;PDSP1_001603;PDSP2_001587;(8beta)-2-Chloroergoline-8-acetonitrile

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2-[(6aR,9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile Basic Attributes

Molecular Weight：

285.77 g/mol

Exact Mass：

285.1032752 g/mol

Characteristics

PSA：

51.6 Å²

Drug Information

MeSH Entry Terms：

desmethyl lergotrile

Computed Properties

Molecular Weight:285.77
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:285.1032752
Monoisotopic Mass:285.1032752
Topological Polar Surface Area:51.6
Heavy Atom Count:20
Complexity:431
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: nateglinide; t butyl alcohol; interspinous ligament; isopropanol structure; janoshik testing; h2s compound name

Guide of 2-[(6aR,9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile

Basic Attributes
Characteristics
Drug Information
Computed Properties

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