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123948-88-9

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Basic Information
CAS No.: 123948-88-9
Name: TOPOTECANACETATE
Article Data: 2
Molecular Structure:
Molecular Structure of 123948-88-9 (TOPOTECANACETATE)
Formula: C23H23N3O5.C2H4O2
Molecular Weight: 481.505
Synonyms: Topotecanacetate;4-Ethyl-4,9-dihydroxy-10-[(dimethylamino)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione acetate;
PSA: 142.19000
LogP: 1.93770
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Specification

The Topotecan acetate, with the CAS registry number 123948-88-9, is also known as 4-Ethyl-4,9-dihydroxy-10-[(dimethylamino)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione acetate. Molecular formula of Topotecan acetate is C23H23N3O5·C2H4O2 and its molecular weight is 481.50. What's more, its systematic name is called 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, (4S)-, acetate (1:1).

You can still convert the following datas into molecular structure:
(1) SMILES: CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)CN(C)C)O)O.CC(=O)O
(2) InChI: InChI=1/C23H23N3O5.C2H4O2/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;1-2(3)4/h5-8,27,30H,4,9-11H2,1-3H3;1H3,(H,3,4)/t23-;/m0./s1
(3) InChIKey: LYUVKGDSGUQAAH-BQAIUKQQBR