(R)-Irinotecan Hydrochloride-d10 Trihydrate

Analyte Name

(R)-Irinotecan Hydrochloride-d10 Trihydrate

Molecular Formula

C33H35D10ClN4O9

Molecular Weight

687.25

Accurate Mass

686.35

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)CCC6N7C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C7([2H])[2H].O.O.O.Cl

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/i5D2,6D2,7D2,12D2,13D2;;;;

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-2,2,3,3,4,4,5,5,6,6-d10 hydrochloride trihydrate

Unlabelled CAS Number

1255644-71-3 (R)-Irinotecan (free base); 136572-09-3 is for (S)-Irinotecan HCl salt trihydrate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat