1. Primary Information
| English name: | Irinotecan-d10 Hydrochloride (Major) |
| CAS No.: | 718612-62-5 |
| Molecular formula: | C33H39ClN4O6 |
| Molecular weight: | 633.2 g/mol |
| SMILES: | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 纯度95%；丰度98% | 2320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)piperidine-1-carboxylate;hydrochloride
4.2 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/i5D2,6D2,7D2,12D2,13D2;
4.3 InChIKey
GURKHSYORGJETM-SLLIWMIESA-N
4.4 Canonical SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl
4.5 Isomeric SMILES
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2CCN(CC2)C(=O)OC3=CC4=C(C=C3)N=C5C(=C4CC)CN6C5=CC7=C(C6=O)COC(=O)[C@@]7(CC)O)([2H])[2H])([2H])[2H])[2H].Cl
