1. Primary Information
| English name: | Belotecan hydrochloride |
| CAS No.: | 213819-48-8 |
| Molecular formula: | C25H28ClN3O4 |
| Molecular weight: | 470.0 g/mol |
| SMILES: | CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O.Cl |
| Structural class: | |
| Other identifiers: |
7-(2-(N-isopropylamino)ethyl)camptothecin belotecan belotecan hydrochloride CKD 602 CKD-602 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 98% | 320 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 736 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 1560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(19S)-19-ethyl-19-hydroxy-10-[2-(propan-2-ylamino)ethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;hydrochloride
4.2 InChI
InChI=1S/C25H27N3O4.ClH/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22;/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3;1H/t25-;/m0./s1
4.3 InChIKey
SJKBXKKZBKCHET-UQIIZPHYSA-N
4.4 Canonical SMILES
CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O.Cl
4.5 Isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O.Cl
