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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34N6O6
Molecular Weight 586.6383
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATIRATECAN

SMILES

CCCCCN1C=NC2=CC=CC3=C2C1=C4CN5C(=CC6=C(COC(=O)[C@@]6(CC)OC(=O)CN(C)C(=O)CN)C5=O)C4=N3

InChI

InChIKey=CWJSAEZZZABNRI-HKBQPEDESA-N
InChI=1S/C31H34N6O6/c1-4-6-7-11-36-17-33-21-9-8-10-22-26(21)28(36)18-14-37-23(27(18)34-22)12-20-19(29(37)40)16-42-30(41)31(20,5-2)43-25(39)15-35(3)24(38)13-32/h8-10,12,17H,4-7,11,13-16,32H2,1-3H3/t31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H34N6O6
Molecular Weight 586.6383
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Atiratecan (previously known as CH4556300 or TP300), the prodrug of a topoisomerase 1 inhibitor, CH0793076. Atiratecan has been studied in phase II clinical trials to treat cancers (e.g., colorectal cancer; gastric cancer; esophageal cancer), but these studies were suspended.

Originator

Approval Year

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Intravenous
Substance Class Chemical
Record UNII
B0AMG37FFR
Record Status Validated (UNII)
Record Version