API & reference standards

Dexrazoxane

Dexrazoxane is listed in the API and reference-standard collection under CAS 24584-09-6. Its represented structure has formula C11H16N4O4 and a calculated molecular weight of 268.27 g/mol.

2D chemical structure

Chemical identity

Catalog name: Dexrazoxane
Common name: Dexrazoxane
Chemical name: 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CAS: 24584-09-6
SMILES: C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
InChI: InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1
InChIKey: BMKDZUISNHGIBY-ZETCQYMHSA-N
Associated API: Dexrazoxane; Razoxane | Razoxane; Dexrazoxane

Record ID: Ae3d469c564f6

Computed properties

C11H16N4O4 Molecular formula

268.273 g/molMolecular weight

268.1172 DaMonoisotopic exact mass

98.82 Å²Topological polar surface area

-2.7083 Calculated LogP (Wildman–Crippen)

63.7744 cm³/molMolar refractivity (Wildman–Crippen)

6 countHydrogen-bond acceptors

2 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Structural feature counts

Element composition

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference

Descriptor	Value	Percentile
Molecular weight	268.273	34.66
Calculated LogP (Wildman–Crippen)	-2.7083	3.02
Topological polar surface area	98.82	71.38
Hydrogen-bond acceptors	6	75.83
Hydrogen-bond donors	2	64.87
Rotatable bonds (strict)	3	37.08

Complete molecular descriptors

Property	Calculated value	Unit / type
Molecular formula	C11H16N4O4	dimensionless
Molecular weight	268.273	g/mol
Monoisotopic exact mass	268.1172	Da
Topological polar surface area	98.82	Å²
Calculated LogP (Wildman–Crippen)	-2.7083	dimensionless
Molar refractivity (Wildman–Crippen)	63.7744	cm³/mol
Hydrogen-bond acceptors	6	count
Hydrogen-bond donors	2	count
Rotatable bonds (strict)	3	count
Heavy atoms	19	count
Heteroatoms	8	count
Rings	2	count
Aromatic rings	0	count
Aliphatic rings	2	count
Saturated rings	2	count
Aromatic heterocycles	0	count
Aliphatic heterocycles	2	count
Saturated heterocycles	2	count
Aromatic carbocycles	0	count
Aliphatic carbocycles	0	count
Fraction of sp³ carbon atoms	0.6364	fraction
Formal charge	0	e
Disconnected components	1	count
Isotopically specified atoms	0	count
Potential atom stereocenters	1	count
Unspecified atom stereocenters	0	count
Spiro atoms	0	count
Bridgehead atoms	0	count
Labute approximate surface area	109.6425	Å²
Valence electrons	104	count
Radical electrons	0	count
Bertz complexity	404.4111	index
Balaban J	1.9078	index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Dexrazoxane

PDE, HBEL and impurity assessment for Dexrazoxane

For a substance-specific assessment, request a PDE report for Dexrazoxane or explore HBEL derivation for Dexrazoxane. These services address exposure limits using toxicological evidence and the intended use of the substance.

For pharmaceutical development, explore prediction of degradation products of Dexrazoxane and qualification of impurities related to Dexrazoxane.

Related Altox services and technical resources

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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