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Irbesartan Impurity 20

CAT: 1299-RM-I192020-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I192020-01Size:10 mg
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CAS Number
143618-44-4
Synonyms
5- (4'- (azidomethyl) -[1,1'-biphenyl]-2-yl) -2-trityl-2H-tetrazole
Molecular Formula
C33H25N7
Molecular Weight
519.61
Target Alternative Name
Irbesartan
Product Name Synonym
5- (4'- (azidomethyl) -[1,1'-biphenyl]-2-yl) -2-trityl-2H-tetrazole

Chemical Information

5-(4'-(Azidomethyl)-[1,1'-biphenyl]-2-yl)-2-trityl-2H-tetrazole
CAS Number143618-44-4
PubChem CID9984141
IUPAC Name5-[2-[4-(azidomethyl)phenyl]phenyl]-2-trityltetrazole
Molecular FormulaC33H25N7
Molecular Weight519.6
XLogP9.1
Topological Polar Surface Area58
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity771
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4N=C(N=N4)C5=CC=CC=C5C6=CC=C(C=C6)CN=[N+]=[N-]
InChI
InChI=1S/C33H25N7/c34-38-35-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-36-39-40(37-32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2
InChIKey
ZIKZMAFZWVVHPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4'-(Azidomethyl)-[1,1'-biphenyl]-2-yl)-2-trityl-2H-tetrazole
CAS: 143618-44-4
CID: 9984141
Formula: C33H25N7
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP39.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass519.21714383
Monoisotopic Mass519.21714383
Topological Polar Surface Area58 Ų
Heavy Atom Count40
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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