BGC > Product Search > Irinotecan hydrochloride 3-hydrate | 136572-09-3

Molecular Formula: C33H38N4O6.HCl.3(H2O)
Molecular Weight: 677,19

Description:
The hydrochloride salt of Irinotecan. Irinotecan is a prodrug that can be activated to 7-ethyl-10-hydroxy-camptothecin (SN-38) by the carboxylesterase-converting enzyme. SN-38 inhibits topoisomerase I to suppress DNA replication and promote cell death.

• Molecular Weight:677.18
• Melting Point:>245°C (dec.)
• Purity:>98%

Molecular Formula:
C33H38N4O6.HCl.3H2O
Canonical SMILES:
CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.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-;;;;/m0..../s1
InChIKey:
KLEAIHJJLUAXIQ-JDRGBKBRSA-N
Solubility:
Soluble in DMSO
Appearance:
Pale yellow to yellow crystalline solid
Synonyms:
CPT-11 HCl Trihydrate; CPT 11 HCl Trihydrate; CPT11 HCl Trihydrate; Irinotecan Hcl Trihydrate; UNII-042LAQ1IIS