 Home > Encyclopedia > 2-<4-(7,9-dioxo-8-azaspiro<4.5>decan-8-yl)butyl>-5-chloro-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine hydrochloride

2-<4-(7,9-dioxo-8-azaspiro<4.5>decan-8-yl)butyl>-5-chloro-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine hydrochloride

2-<4-(7,9-dioxo-8-azaspiro<4.5>decan-8-yl)butyl>-5-chloro-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine hydrochloride structure

CAS No:
123882-89-3
Formula:
C26H36Cl2N2O2
Chemical Name:
2-<4-(7,9-dioxo-8-azaspiro<4.5>decan-8-yl)butyl>-5-chloro-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine hydrochloride
Synonyms:
8-[4-(10-chloro-1,2,3,4,4a,5,6,7-octahydronaphtho[1,8-cd]azepin-3-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride (1:1); 8-Azaspiro(4.5)decane-7,9-dione,8-(4-(5-chloro-3,4,8,9,10,10a-hexahydronaphth(1,8-cd)azepin-2(1H)-yl)butyl)-,monohydrochloride; 5-Chloro-2-(4-(8-azaspiro(4,5)decane-7,9-dione)but-1-yl)-1,2,3,4,8,9,10,10a-octahydronaphth-(1,8-cd)-3-azepine; 2-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl]-5-chloro-1,2,3,4,8,9,10,10a-octahydronaphth(1,8-cd)azepine hydrochloride;

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2-<4-(7,9-dioxo-8-azaspiro<4.5>decan-8-yl)butyl>-5-chloro-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine hydrochloride Basic Attributes

Molecular Weight：

479.48200

Exact Mass：

478.2153838 g/mol

Characteristics

PSA：

49.41000

XLogP3：

6.57020

Boiling Point：

605.1ºC at 760 mmHg

Flash Point：

319.7ºC

Vapor Pressure：

1.37E-14mmHg at 25°C

Drug Information

MeSH Entry Terms：

5-chloro-2-(4-(8-azaspiro(4,5)decane-7,9-dione)but-1-yl)-1,2,3,4,8,9,10,10a-octahydronaphth-(1,8-cd)-3-azepine

Computed Properties

Molecular Weight:479.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:478.2153838
Monoisotopic Mass:478.2153838
Topological Polar Surface Area:49.4
Heavy Atom Count:32
Complexity:656
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-<4-(7,9-dioxo-8-azaspiro<4.5>decan-8-yl)butyl>-5-chloro-1,2,3,4,8,9,10,10a-octahydronaphth<1,8-cd>azepine hydrochloride

Basic Attributes
Characteristics
Drug Information
Computed Properties
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