(1R,9S)-Exatecan mesylate
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| Category | Mycotoxins |
| Catalog number | BBF-05889 |
| CAS | 2231666-58-1 |
| Molecular Weight | 531.56 |
| Molecular Formula | C24H22FN3O4.CH4O3S |
| Purity | ≥95% |
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Description
(1R,9S)-Exatecan mesylate is an isomer of Exatecan mesylate, which is a DNA topoisomerase I inhibitor used to study cancer.
Specification
| Related CAS | 2231666-57-0 (free base) |
| Synonyms | Exatecan (1R,9S-isomer); (1R,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione methanesulfonate; 10H,13H-Benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1R,9S)-, methanesulfonate (1:1); Exatecan (1R,9S) methanesulfonate; (1R,9S)-DX8951f mesylate |
| IUPAC Name | (10S,23R)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid |
| Canonical SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O |
| InChI | InChI=1S/C24H22FN3O4.CH4O3S/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4)/t16-,24+;/m1./s1 |
| InChI Key | BICYDYDJHSBMFS-AUALFVNHSA-N |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
