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Posaconazole

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Posaconazole / CAS : 171228-49-2

Appearance white solid UN 1230 - class 3 - PG 2 - Methanol, solution
HS 29349990 DG Class 0.0
Synonyms 4-[4-[4-[4-[[(3R,5R)-5-(2,4-Difluorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)Oxolan-3-yl]Methoxy]Phenyl]Piperazin-1-yl]Phenyl]-2-[(2S,3S)-2-Hydroxypentan-3-yl]-1,2,4-Triazol-3-one; Noxafil
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Properties

Summary

Formula
C37H42F2N8O4
Molecular Mass
700.77700
Exact Mass
700.33000
PSA
115.70000
Logp
4.70320
IUPAC
4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
SMILES
CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antibiotics

Chemical and Physical Properties

Melting Point
170-1720C
Density
1.36 g/cm3
Boiling Point
850.7ºC at 760 mmHg
Flash Point
468.3ºC
Appearance
white solid
Acidity and Basicity
neutral

Export information

HS Code
29349990
Export Rebate
10%
UN No.
1230 - class 3 - PG 2 - Methanol, solution
DG-Class
0.0
Risk Code
11-23/24/25-39/23/24/25
Safety Label
F,T

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