Catalog Number
ACM100286906
Product Name
Irinotecan hydrochloride
Description
Irinotecan hydrochloride ((+)-Irinotecan hydrochloride) is a topoisomerase I inhibitor mainly used to treat colon cancer and rectal cancer.
InChI
InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1
InChI Key
GURKHSYORGJETM-WAQYZQTGSA-N
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
1
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
2
Isomeric SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl
Monoisotopic Mass
622.2558127
Topological Polar Surface Area
113 Ų