Primary record
QX8ASC7EMG
- CAS
- 338990-63-9
- PubChem CID
- 171394770
- 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)CN(C)C(=O)OC(C)(C)C)(C5=C(C=CC(=C5)F)F)O.[Cl-]
- Molecular Formula
- C40H43ClF2N8O7S
- Molecular Weight
- 853.349
- Exact Mass
- 852.2632
- InChI
- InChI=1S/C40H43F2N8O7S.ClH/c1-25(36-46-33(21-58-36)28-12-10-27(18-43)11-13-28)40(54,31-17-30(41)14-15-32(31)42)22-50-24-49(23-45-50)26(2)56-38(53)48(7)35-29(9-8-16-44-35)20-55-34(51)19-47(6)37(52)57-39(3,4)5;/h8-17,21,23-26,54H,19-20,22H2,1-7H3;1H/q+1;/p-1/t25-,26?,40+;/m0./s1
- InChIKey
- MQJPVALDLKBJKP-CYDMSEOTSA-M
- LogP
- 3.2361
- TPSA
- 176.88
Names and synonyms
- QX8ASC7EMG
- Isavuconazole Impurity 37
- Isavuconazole Impurity N14
- Isavuconazonium N-Boc Impurity
- 338990-63-9
- [2-[1-[1-[(2R,3R)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate chloride
- 4-(1-(((3-((2-((tert-butoxycarbonyl)(methyl)amino)acetoxy)methyl)pyridin-2-yl)(methyl)carbamoyl)oxy)ethyl)-1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-1H-1,2,4-triazol-4-ium chloride
- 4H-1,2,4-Triazolium, 1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-4-[1-[[[[3-[[[2-[[(1,1-dimethylethoxy)carbonyl]methylamino]acetyl]oxy]methyl]-2-pyridinyl]methylamino]carbonyl]oxy]ethyl]-, chloride (1:1)
- Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, [2-[[[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazolium-4-yl]ethoxy]carbonyl]methylamino]-3-pyridinyl]methyl ester, chloride