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isavuconazonium sulfate

chemical compound
ChemicalSubstance group_of_stereoisomers Q27158829
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isavuconazonium sulfate

Summary

isavuconazonium sulfate is a group of stereoisomers[1].

Key Facts

  • isavuconazonium sulfate's instance of is recorded as group of stereoisomers[2].
  • isavuconazonium sulfate's chemical structure is recorded as Isavuconazonium sulfate.svg[3].
  • isavuconazonium sulfate's CAS Registry Number is recorded as 946075-13-4[4].
  • isavuconazonium sulfate's EC number is recorded as 619-052-6[5].
  • isavuconazonium sulfate's canonical SMILES is recorded as CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=N+C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]N+C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]">[6].
  • isavuconazonium sulfate's InChI is recorded as InChI=1S/C35H35F2N8O5S.H2O4S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1[7].
  • isavuconazonium sulfate's InChIKey is recorded as LWXUIUUOMSMZKJ-KLFWAVJMSA-M[8].
  • isavuconazonium sulfate's chemical formula is recorded as C₃₅H₃₆F₂N₈O₉S₂[9].
  • isavuconazonium sulfate's subclass of is recorded as chemical compound[10].
  • isavuconazonium sulfate's Commons category is recorded as Isavuconazonium sulfate[11].
  • isavuconazonium sulfate's ChEMBL ID is recorded as CHEMBL3137333[12].
  • isavuconazonium sulfate's UNII is recorded as 31Q44514JV[13].
  • isavuconazonium sulfate's ChemSpider ID is recorded as 32701987[14].
  • isavuconazonium sulfate's PubChem CID is recorded as 72196309[15].
  • isavuconazonium sulfate's ChEBI ID is recorded as 85977[16].
  • isavuconazonium sulfate's isomeric SMILES is recorded as CC@@HC@(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]C@@HC@(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]">[17].
  • isavuconazonium sulfate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+814.201473'}[18].
  • isavuconazonium sulfate's NDF-RT ID is recorded as N0000191507[19].
  • isavuconazonium sulfate's ECHA Substance Infocard ID is recorded as 100.108.084[20].
  • isavuconazonium sulfate's SureChEMBL ID is recorded as 29774084[21].
  • isavuconazonium sulfate's SureChEMBL ID is recorded as 29380329[22].
  • isavuconazonium sulfate's UMLS CUI is recorded as C4018470[23].
  • isavuconazonium sulfate's DSSTox substance ID is recorded as DTXSID901026216[24].
  • isavuconazonium sulfate's RxNorm CUI is recorded as 1608321[25].
  • isavuconazonium sulfate's UniChem compound ID is recorded as 69980928[26].

References

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

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . wikidata.org.
  3. [4] ↑ . Global Substance Registration System. Retrieved . commonchemistry.cas.org. Provenance: wikidata.org.
  4. [5] ↑ . ECHA Substance Infocard database. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . wikidata.org.
  10. [11] ↑ . wikidata.org.
  11. [12] ↑ . ChEMBL. Retrieved . wikidata.org.
  12. [13] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  13. [14] ↑ . Q2311683. Retrieved . wikidata.org.
  14. [15] ↑ . PubChem. Retrieved . wikidata.org.
  15. [16] ↑ . ChEMBL. Retrieved . wikidata.org.
  16. [17] ↑ . PubChem. Retrieved . wikidata.org.
  17. [18] ↑ . PubChem. Retrieved . wikidata.org.
  18. [19] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  19. [20] ↑ . ECHA Substance Infocard database. Retrieved . wikidata.org.
  20. [21] ↑ . wikidata.org.
  21. [22] ↑ . wikidata.org.
  22. [23] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  23. [24] ↑ . wikidata.org.
  24. [25] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  25. [26] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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