Products for Research Use Only
RegisterLogin

Posaconazole Impurity E

CAT: 1299-RM-P190305-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-P190305-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1246391-73-0
Synonyms
4- (4- (4- (4- (((3S,5S) -5- ((1H-1,2,4-triazol-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methoxy) phenyl) piperazin-1-yl) phenyl) -1- ((2S,3S) -2-hydroxypentan-3-yl) -1H-1,2,4-triazol-5 (4H) -one
Molecular Formula
C37H42F2N8O4
Molecular Weight
700.78
Target Alternative Name
Posaconazole
Product Name Synonym
4- (4- (4- (4- (((3S,5S) -5- ((1H-1,2,4-triazol-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methoxy) phenyl) piperazin-1-yl) phenyl) -1- ((2S,3S) -2-hydroxypentan-3-yl) -1H-1,2,4-triazol-5 (4H) -one

Chemical Information

4-(4-(4-(4-(((3S,5S)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
CAS Number1246391-73-0
PubChem CID22875881
IUPAC Name4-[4-[4-[4-[[(3S,5S)-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
Molecular FormulaC37H42F2N8O4
Molecular Weight700.8
XLogP4.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count51
Formal Charge0
Complexity1170
SMILES
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5C[C@@](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-NTAUFNCHSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(4-(4-(((3S,5S)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
CAS: 1246391-73-0
CID: 22875881
Formula: C37H42F2N8O4
MW: 700.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight700.8
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass700.32970817
Monoisotopic Mass700.32970817
Topological Polar Surface Area112 Ų
Heavy Atom Count51
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-P190301-01Posaconazole Impurity A
RM-P190490-01Posaconazole Impurity 190
RM-P190576-01Posaconazole Impurity 276
RM-P190483-01Posaconazole Impurity 183
RM-P190477-01Posaconazole Impurity 177
RM-P190475-01Posaconazole Impurity 175
RM-P190472-01Posaconazole Impurity 172
RM-P190471-01Posaconazole Impurity 171
RM-P190470-01Posaconazole Impurity 170
RM-P190574-01Posaconazole Impurity 274

Alternative Products

CatalogName
AR-P02342-01Posaconazole Impurity A
TRC-P689625-25MGPosaconazole Benzodiazepine Impurity
TRC-P689620-25MGPosaconazole Imidazolidine Impurity
GTR19213469Posaconazole Impurity 29
AR-P32198-01Posaconazole Impurity 99
AR-P32210-01Posaconazole Impurity 120
AR-P32237-01Posaconazole Impurity 109
AR-P32188-01Posaconazole Impurity 77
AR-P32204-01Posaconazole Impurity 114
AR-P32180-01Posaconazole Impurity 68

Popular Products