Cas no 742049-41-8 (Isavuconazonium)

Isavuconazonium structure
Isavuconazonium structure
Product Name:Isavuconazonium
CAS No:742049-41-8
MF:C35H35F2N8O5S
MW:717.764812707901
CID:5037720
Update Time:2023-08-25

Isavuconazonium Chemical and Physical Properties

Names and Identifiers

    • Isavuconazonium
    • Isavuconazonium ion
    • Isavuconazonium [USAN]
    • Isavuconazonium (USAN)
    • VH2L779W8Q
    • BCP23773
    • DB06636
    • 1-((2R,3R)-3-(4-(4-Cyanophenyl)-1,3-thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-((1RS)-1-(methyl-(3-(((methylamino)acetyloxy)methyl)pyridin-2-yl)carbamoyloxy(ethyl)-1,2,4-triazolium
    • Glycine, N-methyl-, (2-(((1-(1-((2R,3R)-3-(4-(4-cya
    • 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
    • InChI Key: RSWOJTICKMKTER-QXLBVTBOSA-N
    • SMILES: S1C=C(C2C=CC(C#N)=CC=2)N=C1[C@H](C)[C@@](C1C=C(C=CC=1F)F)(CN1C=[N+](C=N1)C(C)OC(N(C)C1C(=CC=CN=1)COC(CNC)=O)=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 51
  • Rotatable Bond Count: 15
  • Complexity: 1210
  • XLogP3: 4.1
  • Topological Polar Surface Area: 188

Isavuconazonium Pricemore >>

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Isavuconazonium Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Methanol ,  Water ;  60 - 80 min, 0 - 5 °C
Reference
A process for the preparation of isavuconazonium sulfate
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethyl acetate ,  Water ;  0 - 10 °C; 10 °C → 30 °C; 2 h, 30 °C
Reference
Preparation of isavuconazonium monosulfate by bisulfate/sulfate anion exchange technology
, China, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethyl acetate ,  Water ;  0 - 10 °C; 0 °C → 60 °C; 2 h, 60 °C
Reference
Method for preparing isavuconazonium sulfate by oxidation-reduction reaction
, China, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen Catalysts: Palladium Solvents: Water ;  rt; cooled
1.2 Reagents: Sulfuric acid Solvents: Water
Reference
Preparation of isavuconazonium sulfate
, China, , ,

Production Method 5

Reaction Conditions
Reference
Preparation of (2-(methylamino)pyridin-3-yl)methanol as intermediate for preparing isavuconazonium sulfate as antifungal agents
, China, , ,

Production Method 6

Reaction Conditions
Reference
Isavuconazonium salts and process for preparing thereof
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium bisulfate Solvents: Dichloromethane ,  Water ;  0.5 - 1 h, 0 - 10 °C
Reference
Preparation of isavuconazonium sulfate
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethanol ,  Water ;  2 h, rt
Reference
Preparation of isavuconazole sulfate
, China, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium iodide Solvents: Acetonitrile ;  rt → 70 °C; 3 h, 70 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  rt; 2 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Dichloromethane ,  Water ;  0 °C; pH 6.5, < 5 °C
1.4 Solvents: Dichloromethane ,  Water ;  1 h, 15 °C
Reference
Method for preparing antifungal drug isavuconazonium sulfate
, China, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  25 - 30 °C
Reference
Process for the preparation of isavuconazonium sulfate
, India, , ,

Production Method 11

Reaction Conditions
Reference
Crystalline form of isavuconazonium sulfate and a process for its preparation
, India, , ,

Production Method 12

Reaction Conditions
Reference
Preparation of isavuconazonium sulfate
, China, , ,

Production Method 13

Reaction Conditions
Reference
Preparation of isavuconazonium sulfate and intermediates thereof
, China, , ,

Isavuconazonium Raw materials

Isavuconazonium Preparation Products

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