Dexrazoxane Impurity 2

CAT: 1299-RM-D050102-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D050102-01Size:10 mg

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CAS Number

120418-76-0

Synonyms

(S) -2- ((2-amino-2-oxoethyl) (2- (3,5-dioxopiperazin-1-yl) propyl) amino) acetic acid

Molecular Formula

C11H18N4O5

Molecular Weight

286.28

Target Alternative Name

Dexrazoxane

Product Name Synonym

(S) -2- ((2-amino-2-oxoethyl) (2- (3,5-dioxopiperazin-1-yl) propyl) amino) acetic acid

Chemical Information

N-(2-Amino-2-oxoethyl)-N-[(2S)-2-(3,5-dioxo-1-piperazinyl)propyl]-glycine

CAS Number	120418-76-0
PubChem CID	16722900
IUPAC Name	2-[(2-amino-2-oxoethyl)-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]amino]acetic acid
Molecular Formula	C11H18N4O5
Molecular Weight	286.28
XLogP	-4.1
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	409

SMILES

C[C@@H](CN(CC(=O)N)CC(=O)O)N1CC(=O)NC(=O)C1

InChI

InChI=1S/C11H18N4O5/c1-7(15-4-9(17)13-10(18)5-15)2-14(3-8(12)16)6-11(19)20/h7H,2-6H2,1H3,(H2,12,16)(H,19,20)(H,13,17,18)/t7-/m0/s1

InChIKey

NMKSQOBSNDOTQH-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 120418-76-0

CID: 16722900

Formula: C11H18N4O5

MW: 286.28

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	286.28
XLogP3	-4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	286.12771969
Monoisotopic Mass	286.12771969
Topological Polar Surface Area	133 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	409
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes