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TETA hydrochloride hydrate

CAT: 0013-GTR19247777-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247777-01Size:250 mg
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Description
TETA hydrochloride hydrate is an effective and selective chelating agent for copper (II) . It can be utilized in drug conjugation.
CAS Number
207737-99-3
Smiles
O=C (CN1CCN (CCCN (CCN (CCC1) CC (O) =O) CC (O) =O) CC (O) =O) O.Cl.O.Cl.O.Cl.O.Cl.O
Molecular Formula
C18H44Cl4N4O12
Molecular Weight
650.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acid tetrahydrochloride tetrahydrate
CAS Number207737-99-3
PubChem CID56845128
IUPAC Name2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid;tetrahydrate;tetrahydrochloride
Molecular FormulaC18H44Cl4N4O12
Molecular Weight650.4
Topological Polar Surface Area166
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity491
SMILES
C1CN(CCN(CCCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.O.O.O.O.Cl.Cl.Cl.Cl
InChI
InChI=1S/C18H32N4O8.4ClH.4H2O/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;;;;;;;;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);4*1H;4*1H2
InChIKey
KZFAYBMEEVMFGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetraacetic acid tetrahydrochloride tetrahydrate
CAS: 207737-99-3
CID: 56845128
Formula: C18H44Cl4N4O12
MW: 650.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.4
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass650.168034
Monoisotopic Mass648.170984
Topological Polar Surface Area166 Ų
Heavy Atom Count38
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count9
Compound Is CanonicalizedYes

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