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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135709 - exatecan
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ChEBI Ontology
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ChEBI Name
exatecan
ChEBI ID
CHEBI:135709
Stars
This entity has been manually annotated by a third party.
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Formula
C24H22FN3O4
Net Charge
0
Average Mass
435.448
Monoisotopic Mass
435.15943
InChI
InChI=1S/C24H22FN3O4/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/h6-
7,16,31H,3-
5,8-
9,26H2,1-
2H3/t16-
,24-
/m0/s1
InChIKey
ZVYVPGLRVWUPMP-FYSMJZIKSA-N
SMILES
N[C@@H]1C2=C3C(C=4N(C3)C(=O)C5=C(C4)[C@](CC)(O)C(OC5)=O)=NC=6C2=C(CC1)C(=C(C6)F)C
ChEBI Ontology
Outgoing
exatecan (
CHEBI:135709
)
is a
pyranoindolizinoquinoline (
CHEBI:48626
)
Synonyms
Sources
DX 8951
DrugCentral
DX-8951a
DrugCentral
DX-8951f
DrugCentral
exatecan hydrochloride
DrugCentral
exatecan mesylate
DrugCentral
Manual Xref
Database
1120
DrugCentral
View more database links
Registry Number
Type
Source
171335-80-1
CAS Registry Number
DrugCentral
Last Modified
23 February 2017