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ketotrexate

chemical compound
ChemicalSubstance group_of_stereoisomers Q27260754
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ketotrexate

Summary

ketotrexate is a group of stereoisomers[1].

Key Facts

  • ketotrexate's instance of is recorded as group of stereoisomers[2].
  • ketotrexate's CAS Registry Number is recorded as 52196-22-2[3].
  • ketotrexate's canonical SMILES is recorded as CN1C(CNC2=C1C(=O)N=C(N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O[4].
  • ketotrexate's InChI is recorded as InChI=1S/C21H27N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/t13?,14-/m0/s1[5].
  • ketotrexate's InChIKey is recorded as KCPBTDJBDDCNQE-KZUDCZAMSA-N[6].
  • ketotrexate's chemical formula is recorded as C₂₁H₂₇N₇O₆[7].
  • ketotrexate's subclass of is recorded as chemical compound[8].
  • ketotrexate's ChEMBL ID is recorded as CHEMBL12213[9].
  • ketotrexate's UNII is recorded as 504RN634MM[10].
  • ketotrexate's ChemSpider ID is recorded as 61945[11].
  • ketotrexate's PubChem CID is recorded as 68691[12].
  • ketotrexate's PubChem CID is recorded as 135436541[13].
  • ketotrexate's isomeric SMILES is recorded as CN1C(CNC2=C1C(=O)N=C(N2)N)CCNC3=CC=C(C=C3)C(=O)NC@@HC(=O)OC@@HC(=O)O">[14].
  • ketotrexate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+473.202'}[15].
  • ketotrexate's SureChEMBL ID is recorded as 1228871[16].
  • ketotrexate's DSSTox substance ID is recorded as DTXSID40966570[17].
  • ketotrexate's DSSTOX compound identifier is recorded as DTXCID101394203[18].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  3. [4] ↑ . PubChem. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . ChEMBL. Retrieved . wikidata.org.
  9. [10] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  10. [11] ↑ . Q2311683. Retrieved . wikidata.org.
  11. [12] ↑ . PubChem. Retrieved . wikidata.org.
  12. [13] ↑ . wikidata.org.
  13. [14] ↑ . PubChem. Retrieved . wikidata.org.
  14. [15] ↑ . PubChem. Retrieved . wikidata.org.
  15. [16] ↑ . wikidata.org.
  16. [17] ↑ . wikidata.org.
  17. [18] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). ketotrexate. Retrieved May 3, 2026, from https://4ort.xyz/entity/ketotrexate
MLA “ketotrexate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/ketotrexate.
BibTeX @misc{4ortxyz_ketotrexate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{ketotrexate}}, year = {2026}, url = {https://4ort.xyz/entity/ketotrexate}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): ketotrexate — https://4ort.xyz/entity/ketotrexate (retrieved 2026-05-03)

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