Irinotecan HCL

Hi I am interested in knowing about Irinotecan as well as the details like the 2D Structure as well as 3D Conformer and the Computed Properties of Irinotecan?

[Rajkumar Agarwal]

Irinotecan is the hydrochloride salt of a semisynthetic subordinate of camptothecin, a cytotoxic, quinoline-based alkaloid extricated from the Asian tree Camptotheca acuminata. Irinotecan, a prodrug, is changed over to a naturally dynamic metabolite 7-ethyl-10-hydroxy-camptothecin (SN-38) by a carboxylesterase-changing over chemical.

One thousand-overlay more strong than its parent compound irinotecan, SN-38 restrains topoisomerase I action by balancing out the cleavable complex between topoisomerase I and DNA, bringing about DNA breaks that hinder DNA replication and trigger apoptotic cell passing.

Since progressing DNA combination is vital for irinotecan to apply its cytotoxic impacts, it is named a S-stage particular specialist.

2D Structure



Molecular Formula
C33H45ClN4O9

Computed Properties

Molecular Weight 677.192 g/mol

Hydrogen Bond Donor Count 5

Hydrogen Bond Acceptor Count 11

Rotatable Bond Count 5

Exact Mass 676.288 g/mol

Monoisotopic Mass 676.288 g/mol

Topological Polar Surface Area 116 A^2

Heavy Atom Count 47

Formal Charge 0

Complexity 1200

Isotope Atom Count 0

Defined Atom Stereocenter Count 1

Undefined Atom Stereocenter Count 0

Defined Bond Stereocenter Count 0

Undefined Bond Stereocenter Count 0

Covalently-Bonded Unit Count 5