Home Other Building Blocks rac DesMethyl CitalopraM HydrobroMide

rac DesMethyl CitalopraM HydrobroMide

CAS No.:
1188264-72-3
Catalog Number:
AG008VTY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008VTY
Chemical Name:
rac DesMethyl CitalopraM HydrobroMide
CAS Number:
1188264-72-3
MDL Number:
MFCD08063653
IUPAC Name:
1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI:
InChI=1S/C19H19FN2O.BrH/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19;/h3-8,11,22H,2,9-10,13H2,1H3;1H
InChI Key:
DJCAYVHVPUEMQJ-UHFFFAOYSA-N
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.074g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
391.284g/mol
Monoisotopic Mass:
390.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties