2-Hydroxyethyl-[2-[[4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]azanium;diacetate
PubChem CID
51150
Structure
Molecular Formula
Synonyms
- CI 881
- NSC 287513
- UNII-6FH145297U
- 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedione diacetate
- 9,10-Anthracenedione, 1,4-bis((2-((hydroxyethyl)amino)ethyl)amino)-, diacetate (salt)
Molecular Weight
532.6 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-18
See also: Ametantrone Acetate (preferred).
Chemical Structure Depiction
3D Conformer of Parent
2-hydroxyethyl-[2-[[4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]azanium;diacetate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C22H28N4O4.2C2H4O2/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30;2*1-2(3)4/h1-6,23-28H,7-14H2;2*1H3,(H,3,4)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
IGCAUIJHGNYDKE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(=O)[O-].CC(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC[NH2+]CCO)NCC[NH2+]CCO
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C26H36N4O8
Computed by PubChem 2.2 (PubChem release 2024.11.20)
70711-40-9
64862-96-0 (Parent)
73334-06-2
- 1,4-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedione diacetate
- ametantrone
- ametantrone diacetate
- ametantrone ion (1-)
- HAQ
- NSC 196473
- NSC 287513
- NSC-196473
- NSC-287513
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
532.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
532.25331412 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
532.25331412 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
212 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
38
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
539
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Ametantrone Acetate (preferred)
Antineoplastic Agents
Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)
Intercalating Agents
Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA. (See all compounds classified as Intercalating Agents.)
- ChemIDplusAmetantrone acetate [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0070711409ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- Wikidataametantrone acetatehttps://www.wikidata.org/wiki/Q27264826
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlametantronehttps://www.ncbi.nlm.nih.gov/mesh/67020182Antineoplastic Agentshttps://www.ncbi.nlm.nih.gov/mesh/68000970Intercalating Agentshttps://www.ncbi.nlm.nih.gov/mesh/68007364
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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