Exatecan

• CAS: 171335-80-1
• Catalog Number: ACM171335801
• Category: Inhibitors
• Molecular Weight: 435.45
• Molecular Formula: C₂₄H₂₂FN₃O₄
• Description: Exatecan (DX-8951) is a DNA topoisomerase I inhibitor, with an IC50 of 2.2 μM (0.975 μg/mL), and can be used in cancer research.
• Synonyms: 10H,13H-BENZO[DE]PYRANO[3,4:6,7]INDOLIZINO[1,2-B]QUINOLINE-10,13-DIONE, 1-AMINO-9-ETHYL-5-FLUORO-1,2,3,9,12,15-HEXAHYDRO-9-HYDROXY-4-METHYL-, (1S,9S)-, MONOMETHANESULFONATE (SALT);exatecan alideximer;(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3,4:6,7)indolizino(1,2-b)quinoline-10,13-dione;Exatecan;DX 8951

Custom Q&A

What is the molecular formula of Exatecan?

The molecular formula of Exatecan is C24H22FN3O4.

When was Exatecan first created?

Exatecan was first created on June 24, 2005.

What is the molecular weight of Exatecan?

The molecular weight of Exatecan is 435.4 g/mol.

What is the IUPAC name of Exatecan?

The IUPAC name of Exatecan is (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.0 2,14 .0 4,13 .0 6,11 .0 20,24 ]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.

What is the Canonical SMILES representation of Exatecan?

The Canonical SMILES representation of Exatecan is CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.

What is the InChIKey of Exatecan?

The InChIKey of Exatecan is ZVYVPGLRVWUPMP-FYSMJZIKSA-N.

How many hydrogen bond donor counts does Exatecan have?

Exatecan has 2 hydrogen bond donor counts.

What is the topological polar surface area of Exatecan?

The topological polar surface area of Exatecan is 106Ų.

What is the formal charge of Exatecan?

The formal charge of Exatecan is 0.

What is the complexity value of Exatecan?

The complexity value of Exatecan is 950.