 Home > Encyclopedia > 8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine,trihydrochloride

8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine,trihydrochloride

8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine,trihydrochloride structure

CAS No:
156611-76-6
Formula:
C26H29Cl4N3
Chemical Name:
8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine,trihydrochloride
Synonyms:
5H-Benzo(5,6)cyclohepta(1,2-b)pyridine,8-chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-,trihydrochloride; Rupatadine HCl; Rupatadine trihydrochloride; Rupatadine hydrochloride; UNII-G61C8NZY2T; 8-Chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine trihydrochloride;Expand

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8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine,trihydrochloride Basic Attributes

Molecular Weight：

525.34100

Exact Mass：

525.108609 g/mol

UNII：

G61C8NZY2T

DSSTox ID：

DTXSID90166109

Characteristics

PSA：

29.02000

XLogP3：

7.97880

Density：

1.233g/cm3

Boiling Point：

586.4ºC at 760mmHg

Flash Point：

308.4ºC

Refractive Index：

1.645

Vapor Pressure：

9.83E-14mmHg at 25°C

Drug Information

MeSH Entry Terms：

8-chloro-6,11-dihydro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine

Computed Properties

Molecular Weight:525.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:525.108609
Monoisotopic Mass:523.111559
Topological Polar Surface Area:29
Heavy Atom Count:33
Complexity:609
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes

Hot Searches: fluorene; 1-hexanol; formula of rubbing alcohol; dichlorine heptoxide; magnesium fluoride; n-methyl-2-pyrrolidone

Guide of 8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine,trihydrochloride

Basic Attributes
Characteristics
Drug Information
Computed Properties

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