Basic information
- CAS
21416-67-1- Standard SMILES
CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1- InChIKey
BMKDZUISNHGIBY-UHFFFAOYSA-N- Molecular formula
- C11H16N4O4
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.117155
Overview
Razoxane is a N-alkylpiperazine.
Names & identifiers
- Preferred name
- Razoxane
- IUPAC
- 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
- English name
- 4,4'-propylenebis(piperazine-2,6-dione)
- Molecular formula
- C11H16N4O4
- Molecular weight
- 268.27
Names & synonyms
Razoxane21416-67-1ICRF-159RazoxanaRazoxanumICRF 159NSC-129943ICI 59118razoxanoDTXSID00207332,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-ICI-59118
Show more names
TroxozonePropyliminumrac-Dexrazoxane4,4'-(Propane-1,2-diyl)Razoxane, 10 mM in DMSObis(piperazine-2,6-dione)-propylenebis(piperazine-2,6-dione)4,4'-propylenebis(piperazine-2,6-dione)4,4'-Propane-1,2-diyldipiperazine-2,6-dione
NSC129943NSC 1299435AR83PR647DTXCID20733CHEBI:50225ICRF 186RefChem:178674ICRF159
Database identifiers
- CAS
21416-67-1、21416-87-5- PubChem CID
- 30623
- DTXSID
DTXSID0020733- ChEMBL
CHEMBL444186- ChEBI
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
LogP-1.74
Physicochemical properties
- Melting point
- 237 · 237-239°
- Boiling point
- 411.43 °C · 411.43°C (rough estimate)
- Density
- 1.2576 · 1.2576 (rough estimate)
- refractive index
- 1.6081 · 1.6081 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 40 mg/mL · DMSO: soluble40mg/mL
- form
- solid
- pka
- 11 · 11.00±0.20(Predicted)
- color
- White to off-white
- Water Solubility
- 3 g/L · 3g/L(25 ºC)
- 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)
- InChIKey
- BMKDZUISNHGIBY-UHFFFAOYSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
ICRF-159
TR-078: Bioassay of ICRF-159 for Possible Carcinogenicity (CASRN 21416-87-5) (1978 )
03/07/78
No Evidence
Clear Evidence
No Evidence
Safety data
- wgk
- 3
- rtecs
- TL6389900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that arrest cells in MITOSIS, most notably TUBULIN MODULATORS.
Applications
UsesRazoxane is an inhibitor of Topo II.
Suppliers4 total
LGM Pharma1-(800)-881-8210 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: Razoxane is a N-alkylpiperazine.
Related reactions
4 records
Compound notes
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