loading...| Preferred Name |
vincristine sulfate |
|
| Synonyms |
Marqibo Oncovin Vincasar Vincrex |
|
| Definitions |
An organic sulfate salt containing equimolar amounts of vincristine(2+) and sulfate. Used for the treatment of a variety of cancers. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_79401 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C13974 PMID:29540104 DrugBank:DBSALT000314 PMID:23212117 CAS:2068-78-2 PMID:26661090 PMID:27616886 PMID:30239252 PMID:24134630 KEGG:D02197 PMID:30210349 |
|
| definition |
An organic sulfate salt containing equimolar amounts of vincristine(2+) and sulfate. Used for the treatment of a variety of cancers. |
|
| formula |
C46H58N4O10.O4S |
|
| has part | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Marqibo Oncovin Vincasar Vincrex |
|
| id |
CHEBI:79401 |
|
| in_subset | ||
| inchi |
InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1 |
|
| inchikey |
AQTQHPDCURKLKT-JKDPCDLQSA-N |
|
| label |
vincristine sulfate |
|
| mass |
923.040 |
|
| monoisotopicmass |
922.36702 |
|
| notation |
CHEBI:79401 |
|
| prefLabel |
vincristine sulfate |
|
| RO_0000087 | ||
| smiles |
C1=C(C(=CC2=C1N([C@@]3([C@@]24[C@@]5([C@]([C@H]([C@]3(O)C(=O)OC)OC(C)=O)(C=CC[NH+]5CC4)CC)[H])[H])C=O)[C@@]6(C=7NC8=CC=CC=C8C7CC[NH+]9C[C@](C[C@@H](C9)C6)(O)CC)C(OC)=O)OC.O=S(=O)([O-])[O-] |
|
| subClassOf |