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Dexrazoxane Impurity 3

CAT: 1299-RM-D050103-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D050103-02Size:25 mg
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CAS Number
75459-34-6
Synonyms
N, N'- ((1S) -1-methyl-1,2-ethanediyl) -bis (N- (2-amino-2-oxoethyl) ) glycine
Molecular Formula
C11H20N4O6
Molecular Weight
304.3
Target Alternative Name
Dexrazoxane
Product Name Synonym
N, N'- ((1S) -1-methyl-1,2-ethanediyl) -bis (N- (2-amino-2-oxoethyl) ) glycine

Chemical Information

Icrf 198

hydrolysis product of dexrazoxane; ADR-925 is the (S)-enantiomer of ICRF-198; structure given in first source; ADR 925 is identical to N,N'-((1S)-1-methyl-1,2-ethanediyl)-bis(N-(2-amino-2-oxoethyl))glycine

CAS Number75459-34-6
PubChem CID126521
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propyl]amino]acetic acid
Molecular FormulaC11H20N4O6
Molecular Weight304.30
XLogP-6.7
Topological Polar Surface Area167
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count21
Formal Charge0
Complexity414
SMILES
CC(CN(CC(=O)N)CC(=O)O)N(CC(=O)N)CC(=O)O
InChI
InChI=1S/C11H20N4O6/c1-7(15(4-9(13)17)6-11(20)21)2-14(3-8(12)16)5-10(18)19/h7H,2-6H2,1H3,(H2,12,16)(H2,13,17)(H,18,19)(H,20,21)
InChIKey
YXWHFCSUHVBWFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Icrf 198
CAS: 75459-34-6
CID: 126521
Formula: C11H20N4O6
MW: 304.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.30
XLogP3-6.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass304.13828437
Monoisotopic Mass304.13828437
Topological Polar Surface Area167 Ų
Heavy Atom Count21
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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