Primary record
Isavuconazonium
- CAS
- 742049-41-8
- PubChem CID
- 6918606
- SMILES
- C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O
- Molecular Formula
- C35H35F2N8O5S+
- Molecular Weight
- 717.779
- Exact Mass
- 717.2414
- InChI
- InChI=1S/C35H35F2N8O5S/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/q+1/t22-,23?,35+/m0/s1
- InChIKey
- RSWOJTICKMKTER-QXLBVTBOSA-N
- LogP
- 4.5846
- TPSA
- 159.37
Names and synonyms
- Isavuconazonium
- Isavuconazonium ion
- Cresemba
- Isavuconazonium cation
- Isavuconazonium [USAN]
- Isavuconazonium sulfate
- Isavuconazonium (USAN)
- AC1OCFMR
- Isavuconazonium chloride
- BAL-8557
- RefChem:791502
- UNII-VH2L779W8Q
- VH2L779W8Q
- BAL8557
- ISAVUCONAZONIUM [WHO-DD]
- CHEBI:85978
- DTXSID70225203
- BAL8557-000
- 742049-41-8
- BAL 8557
- CHEMBL1183349
- SCHEMBL13133195
- SCHEMBL31520313
- BAL-8557000
- DTXCID30147694
- BAL 8557-000
- BAL-8557-000
- BCP23773
- ACN-048059
- CID6918606