loading...| Preferred Name | topotecan | |
| Synonyms |
topotecanum 9-[(dimethylamino)methyl]-10-hydroxy-(4S)-camptothecin topotecan topotecane (4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Topotecan |
|
| Definitions |
A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63632 |
|
| alternative term |
topotecanum 9-[(dimethylamino)methyl]-10-hydroxy-(4S)-camptothecin topotecan topotecane (4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Topotecan |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Topotecan PMID:20574789 KEGG:C11158 CAS:123948-87-8 PMID:21255983 Patent:EP321122 Reaxys:4279441 PMID:22028494 PMID:22075006 PMID:22136714 PMID:22190039 LINCS:LSM-5662 DrugBank:DB01030 KEGG:D08618 PMID:21910214 PDBeChem:TTC PMID:21352915 |
|
| definition |
A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks. |
|
| formula |
C23H23N3O5 |
|
| has_alternative_id |
CHEBI:9634 |
|
| has_exact_synonym |
(4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Topotecan |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
topotecanum 9-[(dimethylamino)methyl]-10-hydroxy-(4S)-camptothecin topotecan topotecane |
|
| id |
CHEBI:63632 |
|
| in_subset | ||
| inchi |
InChI=1S/C23H23N3O5/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/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1 |
|
| inchikey |
UCFGDBYHRUNTLO-QHCPKHFHSA-N |
|
| label |
topotecan |
|
| mass |
421.44580 |
|
| monoisotopicmass |
421.16377 |
|
| notation |
CHEBI:63632 |
|
| prefLabel |
topotecan |
|
| RO_0000087 | ||
| smiles |
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |
|
| subClassOf |