Dexrazoxane

C₁₁H₁₆N₄O₄CAS 24584-09-6268.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆N₄O₄
Molar mass: 268.27 g/mol
Exact mass: 268.1172 Da
Melting point: 193 °C
pKa: 2.1
Water solubility: 10–12 g/L (25 °C)
logP: -1.03Crippen estimate
Polar surface area: 105.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

24584-09-6

SMILES

C[C@@H](CN1CC(=O)N=C(O)C1)N1CC(=O)N=C(O)C1

InChIKey

BMKDZUISNHGIBY-ZETCQYMHSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

2,6-Piperazinedione, 4,4′-[(1S)-1-methyl-1,2-ethanediyl]bis-
2,6-Piperazinedione, 4,4′-propylenedi-, (+)-
2,6-Piperazinedione, 4,4′-(1-methyl-1,2-ethanediyl)bis-, (S)-
4,4′-[(1S)-1-Methyl-1,2-ethanediyl]bis[2,6-piperazinedione]
(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane
ICRF 187
NSC 169780
(S)-(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane
ADR 529
(S)-4,4′-(Propane-1,2-diyl)bis(piperazine-2,6-dione)

Work with Dexrazoxane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cardioxane149003-01-0Salt

Similar compounds

N,N'-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]15250-41-651 % similar 1,2-Diaminopropane-N,N,N',N'-tetraacetic acid4408-81-551 % similar Succinimide123-56-834 % similar 1-Methylhydantoin616-04-633 % similar 4,4-Dimethylpiperidine-2,6-dione1123-40-633 % similar Glutarimide1121-89-733 % similar Barbituric acid67-52-732 % similar 2-Methyl-4,6-pyrimidinedione40497-30-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentostatin53910-25-1 Acetylcarnosine56353-15-2

Elsewhere

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