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Irbesartan Impurity 15

CAT: 1299-RM-I192015-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I192015-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141745-71-3
Synonyms
N- ((2'-cyano-[1,1'-biphenyl]-4-yl) methyl) -1-pentanamidocyclopentanecarboxamide
Molecular Formula
C25H29N3O2
Molecular Weight
403.52
Target Alternative Name
Irbesartan
Product Name Synonym
N- ((2'-cyano-[1,1'-biphenyl]-4-yl) methyl) -1-pentanamidocyclopentanecarboxamide

Chemical Information

N-((2'-Cyano-[1,1'-biphenyl]-4-yl)methyl)-1-pentanamidocyclopentanecarboxamide
CAS Number141745-71-3
PubChem CID23655860
IUPAC NameN-[[4-(2-cyanophenyl)phenyl]methyl]-1-(pentanoylamino)cyclopentane-1-carboxamide
Molecular FormulaC25H29N3O2
Molecular Weight403.5
XLogP4.2
Topological Polar Surface Area82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity624
SMILES
CCCCC(=O)NC1(CCCC1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N
InChI
InChI=1S/C25H29N3O2/c1-2-3-10-23(29)28-25(15-6-7-16-25)24(30)27-18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3,(H,27,30)(H,28,29)
InChIKey
YRCWDKATYITJDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((2'-Cyano-[1,1'-biphenyl]-4-yl)methyl)-1-pentanamidocyclopentanecarboxamide
CAS: 141745-71-3
CID: 23655860
Formula: C25H29N3O2
MW: 403.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass403.22597718
Monoisotopic Mass403.22597718
Topological Polar Surface Area82 Ų
Heavy Atom Count30
Formal Charge0
Complexity624
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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