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25174-38-3 | 1H-3-Benzazepine, 7-chloro-2,3,4,5-tetrahydro-
CAS No: 25174-38-3 Catalog No: AG002QRW MDL No:
Product Description
Catalog Number:
AG002QRW
Chemical Name:
1H-3-Benzazepine, 7-chloro-2,3,4,5-tetrahydro-
CAS Number:
25174-38-3
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
IUPAC Name:
7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C10H12ClN/c11-10-2-1-8-3-5-12-6-4-9(8)7-10/h1-2,7,12H,3-6H2
InChI Key:
ZJIUEDYXZUIMNV-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCNCC2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.663g/mol
Monoisotopic Mass:
181.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Discovery and structure-activity relationship of (1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine (Lorcaserin), a selective serotonin 5-HT2C receptor agonist for the treatment of obesity. | Journal of medicinal chemistry 20080124 |
| Discovery and SAR of new benzazepines as potent and selective 5-HT(2C) receptor agonists for the treatment of obesity. | Bioorganic & medicinal chemistry letters 20050301 |
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