Concept information
Preferred term
ICI D1694
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C21H22N4O6S
inchi
- InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
inchikey
- IVTVGDXNLFLDRM-HNNXBMFYSA-N
mass
- 458.489
monoisotopicmass
- 458.12601
smiles
- CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
subset
- 2_STAR
synonym EXACT
- ICI D1694
synonym RELATED
- D-1694
- ICI-D1694
- Raltitrexed
- Tomudex
- ZD-1694
- ZD1694
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:5847
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}