Banoxantrone-d12dihydrochloride - ≥95% , CAS No.1562066-98-1

CAS: 1562066-98-1 Cat. No.: B648878 Molecular Weight: 529.48 PubChem CID: 72792477

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Banoxantrone-d 12 (dihydrochloride) is the deuterium labeled Banoxantrone dihydrochloride. Banoxantrone is a novel bioreductive agent that can be reduced to a stable, DNA-affinic compound AQ4, which is a potent topoisomerase II inhibitor.

Form:Solid

Specifications

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Banoxantrone-d 12 (dihydrochloride) is the deuterium labeled Banoxantrone dihydrochloride. Banoxantrone is a novel bioreductive agent that can be reduced to a stable, DNA-affinic compound AQ4, which is a potent topoisomerase II inhibitor.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-].Cl.Cl
• IUPAC Name: 2-[[5,8-dihydroxy-4-[2-[oxido-bis(trideuteriomethyl)azaniumyl]ethylamino]-9,10-dioxoanthracen-1-yl]amino]-N,N-bis(trideuteriomethyl)ethanamine oxide;dihydrochloride
• InChIKey: SBWCPHUXRZRTDP-BHITWGRESA-N
• INCHI: 1S/C22H28N4O6.2ClH/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30;;/h5-8,23-24,27-28H,9-12H2,1-4H3;2*1H/i1D3,2D3,3D3,4D3
• Isomeric SMILES: [2H]C([2H])([2H])[N+](CCNC1=C2C(=C(C=C1)NCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)(C([2H])([2H])[2H])[O-].Cl.Cl
• PubChem CID: 72792477
• Molecular Weight: 529.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Vinylogous acids Trialkyl amine oxides Trisubstituted amine oxides and derivatives Organic zwitterions Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Trialkyl amine oxide - Vinylogous amide - Vinylogous acid - Ketone - N-oxide - Secondary amine - Trisubstituted n-oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y