Home Other Building Blocks (1R,4S) Sertraline Hydrochloride

(1R,4S) Sertraline Hydrochloride

CAS No.:
79896-32-5
Catalog Number:
AG008KWR
Molecular Formula:
C17H18Cl3N
Molecular Weight:
342.6905
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Product Description
Catalog Number:
AG008KWR
Chemical Name:
(1R,4S) Sertraline Hydrochloride
CAS Number:
79896-32-5
Molecular Formula:
C17H18Cl3N
Molecular Weight:
342.6905
MDL Number:
MFCD09025656
IUPAC Name:
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
InChI:
InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H
InChI Key:
BLFQGGGGFNSJKA-UHFFFAOYSA-N
SMILES:
CNC1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl.Cl
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.05g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
342.688g/mol
Monoisotopic Mass:
341.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties