Catalogue Number: PD192
Posaconazole O-β-D-glucuronide
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(β-D-glucopyranuronosyloxy)propyl]-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
Categories
Properties
- CAS Number
- 697751-82-9
- Molecular Formula
- C43H50F2N8O10
- Molecular Weight
- 876.90
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- White Amorphous Solid
- Solubility
- DMSO, MeOH (weakly)
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to -20 °C.
- Shipping Conditions
- Ambient, Express Only
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3S,4S,5R,6R)-6-[(1S,2S)-2-(4-{4-[4-(4-{[(3R,5R)-5-(2,4-difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]dihydrofuran-3(2H)-yl]methyloxy}phenyl)piperazin-1-yl]phenyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-1-methylbutyloxy]-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChI
InChI=1S/C43H50F2N8O10/c1-3-35(26(2)62-41-38(56)36(54)37(55)39(63-41)40(57)58)53-42(59)52(25-48-53)31-7-5-29(6-8-31)49-14-16-50(17-15-49)30-9-11-32(12-10-30)60-20-27-19-43(61-21-27,22-51-24-46-23-47-51)33-13-4-28(44)18-34(33)45/h4-13,18,23-27,35-39,41,54-56H,3,14-17,19-22H2,1-2H3,(H,57,58)/t26-,27+,35-,36-,37-,38+,39-,41+,43-/m0/s1
InChI Key
RMRMLQCGGXZVLN-OPXQCEFMSA-N
Smiles
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N([C@H]([C@@H](O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)C)CC)N=C5)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8