BGC > Product Search > Posaconazole | 171228-49-2

Molecular Formula: C37H42F2N8O4
Molecular Weight: 700.78
Hazard Symbols: F,T
UN Number: UN1230 - class 3 - PG 2 - Methanol, solution
WGKGermany: 3

Description:
Posaconazole is a broad-spectrum triazole compound that is active against fungi by inhibiting the lanosterol 14α-demethylase enzyme.

• Molecular Weight:700.78
• Purity:>98%

Molecular Formula:
C37H42F2N8O4
Canonical 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
InChI:
InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
InChIKey:
RAGOYPUPXAKGKH-XAKZXMRKSA-N
Solubility:
Soluble in DMSO (~0.5 mg/ml at 25°C), DMF (~0.5 mg/ml at 25°C)
Appearance:
White to Pale Purple Solid
Application:
For research used only
Storage: Store at -20°C
Synonyms:
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol; Noxafil; Sch 56592

Purity: 98%
Smile code: O=C1N(C2=CC=C(N3CCN(C4=CC=C(OC[C@@H]5CO[C@](C6=CC=C(F)C=C6F)(CN7N=CN=C7)C5)C=C4)CC3)C=C2)C=NN1[C@@H](CC)[C@@H](O)C
MDL Number: MFCD00941162
MolFormula: C37H42F2N8O4
MolWeight: 700.7774
Available in stock: 8910.394

Smile code:
O=C1N(C2=CC=C(N3CCN(C4=CC=C(OC[C@@H]5CO[C@](C6=CC=C(F)C=C6F)(CN7N=CN=C7)C5)C=C4)CC3)C=C2)C=NN1[C@@H](CC)[C@@H](O)C
MDL Number:
MFCD00941162
Purity :
98%
Available in stock:
8282.262 g