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NO2A-Azide trihydrochloride

CAT: 0931-TSH-00350-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TSH-00350-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2435782-92-4
Bioactivity
NO2A-Azide (trihydrochloride) is a bifunctional chelator (Bifunctional Chelator; BFC) and a macrocyclic NOTA derivative utilized for tumor pre-targeting. It is suitable for conjugation with peptides and radionuclides.
Smiles
Cl.Cl.Cl.[N-]=[N+]=NCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1
Molecular Formula
C15H30Cl3N7O5
Molecular Weight
494.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NO2A-Azide trihydrochloride
CAS Number2435782-92-4
PubChem CID171364490
IUPAC Name2-[4-[2-(3-azidopropylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid;trihydrochloride
Molecular FormulaC15H30Cl3N7O5
Molecular Weight494.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity525
SMILES
C1CN(CCN(CCN1CC(=O)NCCCN=[N+]=[N-])CC(=O)O)CC(=O)O.Cl.Cl.Cl
InChI
InChI=1S/C15H27N7O5.3ClH/c16-19-18-3-1-2-17-13(23)10-20-4-6-21(11-14(24)25)8-9-22(7-5-20)12-15(26)27;;;/h1-12H2,(H,17,23)(H,24,25)(H,26,27);3*1H
InChIKey
XRNJFELVPDEOEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NO2A-Azide trihydrochloride
CAS: 2435782-92-4
CID: 171364490
Formula: C15H30Cl3N7O5
MW: 494.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass493.137400
Monoisotopic Mass493.137400
Topological Polar Surface Area128 Ų
Heavy Atom Count30
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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