Dexrazoxane Impurity 35

CAT: 1299-RM-D050135-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D050135-02Size:25 mg

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CAS Number

4408-81-5

Synonyms

2,2',2'',2'''- (propane-1,2-diylbis (azanetriyl) ) tetraacetic acid

Molecular Formula

C11H18N2O8

Molecular Weight

306.27

Target Alternative Name

Dexrazoxane

Product Name Synonym

2,2',2'',2'''- (propane-1,2-diylbis (azanetriyl) ) tetraacetic acid

Chemical Information

1,2-Diaminopropane-N,N,N',N'-tetraacetic acid

CAS Number	4408-81-5
PubChem CID	20442
IUPAC Name	2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid
Molecular Formula	C11H18N2O8
Molecular Weight	306.27
XLogP	-5.4
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	21
Formal Charge	0
Complexity	379

SMILES

CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

InChIKey

XNCSCQSQSGDGES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4408-81-5

CID: 20442

Formula: C11H18N2O8

MW: 306.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.27
XLogP3	-5.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	306.10631554
Monoisotopic Mass	306.10631554
Topological Polar Surface Area	156 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes