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Losartan Azide

CAT: 0572-TRC-L470501-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L470501-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
727718-93-6
Synonyms
1H-Tetrazole, 5-[4'-[[5-(azidomethyl)-2-butyl-4-chloro-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-yl]- (9CI); 5-[4'-[[5-(Azidomethyl)-2-butyl-4-chloro-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-yl]-2H-tetrazole
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CCCCc1nc(Cl)c(CN=[N+]=[N-])n1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4
Molecular Formula
C22 H22 Cl N9
Molecular Weight
447.9234
InChI
InChI=1S/C22H22ClN9/c1-2-3-8-20-26-21(23)19(13-25-29-24)32(20)14-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-30-31-28-22/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,27,28,30,31)
Additionnal Information
IUPAC name: 5-[2-[4-[[5-(azidomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]phenyl]-1H-tetrazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-[2-[4-[[5-(azidomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CAS Number727718-93-6
PubChem CID58773826
IUPAC Name5-[2-[4-[[5-(azidomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
Molecular FormulaC22H22ClN9
Molecular Weight447.9
XLogP6
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity623
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CN=[N+]=[N-])Cl
InChI
InChI=1S/C22H22ClN9/c1-2-3-8-20-26-21(23)19(13-25-29-24)32(20)14-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-30-31-28-22/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,27,28,30,31)
InChIKey
WSECDZBYSJWHFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[2-[4-[[5-(azidomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CAS: 727718-93-6
CID: 58773826
Formula: C22H22ClN9
MW: 447.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight447.9
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass447.1686694
Monoisotopic Mass447.1686694
Topological Polar Surface Area86.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity623
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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