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Simmitecan hydrochloride , CAS No.1247847-78-4
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Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Simmitecan hydrochloride, a 9-substituted lipophilic Camptothecin derivative, is a potent topoisomerase I inhibitor. Simmitecan hydrochloride is an anticancer agent.
Specifications
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
| Canonical Smiles | CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CC=C)OC(=O)N6CCC(CC6)N7CCCCC7)N=C4C3=C2)O.Cl |
|---|---|
| IUPAC Name | [(19S)-19-ethyl-19-hydroxy-14,18-dioxo-8-prop-2-enyl-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-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride |
| InChIKey | UWNITDCAZZJJFF-GXUZKUJRSA-N |
| INCHI | 1S/C34H38N4O6.ClH/c1-3-8-23-24-17-21-19-38-28(18-26-25(31(38)39)20-43-32(40)34(26,42)4-2)30(21)35-27(24)9-10-29(23)44-33(41)37-15-11-22(12-16-37)36-13-6-5-7-14-36;/h3,9-10,17-18,22,42H,1,4-8,11-16,19-20H2,2H3;1H/t34-;/m0./s1 |
| Isomeric SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CC=C)OC(=O)N6CCC(CC6)N7CCCCC7)N=C4C3=C2)O.Cl |
| Alternate CAS | 1247847-78-4 |
| PubChem CID | 71587955 |
| MeSH Entry Terms | 9-allyl-10-piperidyl piperidine formyloxy-camptothecin;simmitecan |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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