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Substance Name: Isavuconazonium chloride [INN]
RN: 338990-84-4
UNII: 180NBU028B
InChIKey: HUVDUZGLFMQIAC-ZDZOMAJASA-M

Molecular Formula

  • C35-H35-Cl-F2-N8-O5-S

Molecular Weight

  • 826.1493
 
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Names and Synonyms

Name of Substance

  • Isavuconazonium chloride [INN]

Synonyms

  • Isavuconazonium chloride
  • UNII-180NBU028B

Registry Numbers

CAS Registry Number

  • 338990-84-4

FDA UNII

  • 180NBU028B

System Generated Number

  • 0338990844

Structure Descriptors

InChI

InChI=1S/C35H35F2N8O5S.3ClH/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;;;/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;3*1H/q+1;;;/p-1/t22-,23?,35+;;;/m0.../s1

InChIKey

HUVDUZGLFMQIAC-ZDZOMAJASA-M

Smiles

Cl.Cl.[Cl-].CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]2cnn(C[C@@](O)([C@@H](C)c3nc(cs3)c4ccc(cc4)C#N)c5cc(F)ccc5F)c2