Analyte Name

Irinotecan Hydrochloride Trihydrate

CAS Number

136572-09-3

Molecular Formula

C33 H38 N4 O6 . Cl H . 3 H2 O

Molecular Weight

677.18

Accurate Mass

676.2875

SMILES

O.O.O.Cl.CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4

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-;;;;/m0..../s1

IUPAC

[1,4'-Bipiperidine]-1'-carboxylic acid (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester hydrochloride trihydrate

Alternate CAS Number

Anhydrous: 100286-90-6; Anhydrous free base: 97682-44-5

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Product Format

Mixture

API Family

Irinotecan Hydrochloride Trihydrate

Analytical Method

Monograph only