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1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone

1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone structure

CAS No:
117796-52-8
Formula:
C21H21ClN2O
Chemical Name:
1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone
Synonyms:
RESPATADINE; PegCNTF; N-Acetyldesloratadine;

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1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone Basic Attributes

Molecular Weight：

352.85700

Exact Mass：

352.1342410 g/mol

UNII：

GA60WRR45J

DSSTox ID：

DTXSID10151911

Characteristics

PSA：

33.20000

XLogP3：

4.21570

Density：

1.257g/cm3

Boiling Point：

546.9ºC at 760mmHg

Flash Point：

284.5ºC

Refractive Index：

1.626

Vapor Pressure：

5.15E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

1-acetyl-4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cycloheptal(1,2-b)pyridin-11-ylidine)piperidine

Computed Properties

Molecular Weight:352.9
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Exact Mass:352.1342410
Monoisotopic Mass:352.1342410
Topological Polar Surface Area:33.2
Heavy Atom Count:25
Complexity:536
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidin-1-yl]ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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