Products for Research Use Only
RegisterLogin

Posaconazole Impurity 22

CAT: 1596-AR-P02382-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-P02382-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1388148-30-8
Synonyms
4- (4- (8- (((3R,5R) -5- ((1H-1,2,4-triazol-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methoxy) -2,3-dihydro-1H-benzo[e][1,4]diazepin-4 (5H) -yl) phenyl) -1- ((2S,3S) -2-hydroxypentan-3-yl) -1H-1,2,4-triazol-5 (4H) -one; D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C- (2,4-difluorophenyl) -4-[[[4-[4-[1-[ (1S,2S) -1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl]oxy]methyl]-1- (1H-1,2,4-triazol-1-yl) -;2,5-Anhydro-1,3,4-trideoxy-2- (2,4-difluorophenyl) -4- ({[4- (4-{1-[ (2S,3S) -2-hydroxy-3-pentanyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl) -2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl]oxy}methyl) -1- (1H-1,2,4-triazol-1-yl) -D-threo-pentitol
Molecular Formula
C36H40F2N8O4
Molecular Weight
686.77
API Name
Posaconazole

Chemical Information

Posaconazole Benzodiazepine Impurity
CAS Number1388148-30-8
PubChem CID131873283
IUPAC Name4-[4-[7-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
Molecular FormulaC36H40F2N8O4
Molecular Weight686.7
XLogP4.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count50
Formal Charge0
Complexity1170
SMILES
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCNC4=C(C3)C=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
InChI
InChI=1S/C36H40F2N8O4/c1-3-34(24(2)47)46-35(48)45(23-42-46)29-7-5-28(6-8-29)43-13-12-40-33-11-9-30(14-26(33)17-43)49-18-25-16-36(50-19-25,20-44-22-39-21-41-44)31-10-4-27(37)15-32(31)38/h4-11,14-15,21-25,34,40,47H,3,12-13,16-20H2,1-2H3/t24-,25+,34-,36-/m0/s1
InChIKey
LWBSOLBLKXOODD-ZPTVKFTMSA-N
Chemical Structure
2D Structure
2D structure of Posaconazole Benzodiazepine Impurity
CAS: 1388148-30-8
CID: 131873283
Formula: C36H40F2N8O4
MW: 686.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight686.7
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass686.31405811
Monoisotopic Mass686.31405811
Topological Polar Surface Area121 Ų
Heavy Atom Count50
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
AR-P02342-01Posaconazole Impurity A
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
AR-P32193-01Posaconazole Impurity 85
AR-P02376-01Posaconazole Impurity 17
AR-P02377-01Posaconazole Impurity 18

Alternative Products

CatalogName
RM-P190301-01Posaconazole Impurity A
TRC-P689620-25MGPosaconazole Imidazolidine Impurity
TRC-P689625-25MGPosaconazole Benzodiazepine Impurity
RM-P190523-01Posaconazole Impurity 223
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

Popular Products