(R)-Irinotecan Hydrochloride Trihydrate

Analyte Name

(R)-Irinotecan Hydrochloride Trihydrate

Molecular Formula

C33H38N4O6 . HCl . 3H₂O

Molecular Weight

677.21

Accurate Mass

676.29

SMILES

O=C(OC1=CC=C(N=C(C(N2C3)=CC([C@](O)(CC)C(OC4)=O)=C4C2=O)C3=C5CC)C5=C1)N(CC6)CCC6N7CCCCC7.Cl.O.O.O

InChI

InChI=1S/C33H38N4O6.ClH.3H2O/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;3*1H2/t33-;;;;/m1..../s1

IUPAC

(R)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride trihydrate

Alternate CAS Number

1992961-26-8 (mono HCl salt); 1255644-71-3 (R)-Irinotecan; 136572-09-3 (S-isomer)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat