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ω-1-Hydroxy Losartan

CAT: 0024-sc-490880Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490880Size:25 mg
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CAS Number
141675-57-2

Chemical Information

Losartan metabolite M2
CAS Number141675-57-2
PubChem CID9867801
IUPAC Name4-[4-chloro-5-(hydroxymethyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]butan-2-ol
Molecular FormulaC22H23ClN6O2
Molecular Weight438.9
XLogP3
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity552
SMILES
CC(CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl)O
InChI
InChI=1S/C22H23ClN6O2/c1-14(31)6-11-20-24-21(23)19(13-30)29(20)12-15-7-9-16(10-8-15)17-4-2-3-5-18(17)22-25-27-28-26-22/h2-5,7-10,14,30-31H,6,11-13H2,1H3,(H,25,26,27,28)
InChIKey
RPKQQYYBEFCTLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Losartan metabolite M2
CAS: 141675-57-2
CID: 9867801
Formula: C22H23ClN6O2
MW: 438.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight438.9
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass438.1571017
Monoisotopic Mass438.1571017
Topological Polar Surface Area113 Ų
Heavy Atom Count31
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes