Products for Research Use Only
RegisterLogin

Venetoclax Impurity 30

CAT: 1299-RM-V051430-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-V051430-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2573767-94-7
Synonyms
2- ((1H-pyrrolo[2,3-b]pyridin-5-yl) oxy) -4- (5- (5- (4- ((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl) methyl) piperazin-1-yl) -2- (((3-nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) phenyl) sulfonyl) carbamoyl) phenoxy) -1H-pyrrolo[2,3-b]pyridin-1-yl) -N- ((3-nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) phenyl) sulfonyl) benzamide
Molecular Formula
C71H73ClN12O14S2
Molecular Weight
1418.01
Target Alternative Name
Venetoclax
Product Name Synonym
2- ((1H-pyrrolo[2,3-b]pyridin-5-yl) oxy) -4- (5- (5- (4- ((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl) methyl) piperazin-1-yl) -2- (((3-nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) phenyl) sulfonyl) carbamoyl) phenoxy) -1H-pyrrolo[2,3-b]pyridin-1-yl) -N- ((3-nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) phenyl) sulfonyl) benzamide

Chemical Information

4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-[1-[4-[[3-nitro-5-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]pyrrolo[2,3-b]pyridin-5-yl]oxybenzamide
CAS Number2573767-94-7
PubChem CID176486918
IUPAC Name4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-[1-[4-[[3-nitro-5-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]pyrrolo[2,3-b]pyridin-5-yl]oxybenzamide
Molecular FormulaC71H73ClN12O14S2
Molecular Weight1418.0
XLogP11.5
Topological Polar Surface Area349
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count20
Rotatable Bond Count21
Heavy Atom Count100
Formal Charge0
Complexity3040
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8C9=CC(=C(C=C9)C(=O)NS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])NCC1CCOCC1)OC1=CN=C2C(=C1)C=CN2)C
InChI
InChI=1S/C71H73ClN12O14S2/c1-71(2)20-13-50(62(39-71)47-3-5-51(72)6-4-47)44-80-23-25-81(26-24-80)53-7-10-60(69(85)78-99(91,92)58-9-12-63(64(38-58)84(89)90)75-41-46-18-29-96-30-19-46)65(36-53)98-57-32-49-15-22-82(68(49)77-43-57)54-8-11-61(66(37-54)97-56-31-48-14-21-73-67(48)76-42-56)70(86)79-100(93,94)59-34-52(33-55(35-59)83(87)88)74-40-45-16-27-95-28-17-45/h3-12,14-15,21-22,31-38,42-43,45-46,74-75H,13,16-20,23-30,39-41,44H2,1-2H3,(H,73,76)(H,78,85)(H,79,86)
InChIKey
HSWNLNOHFOKMJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-[1-[4-[[3-nitro-5-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)phenyl]pyrrolo[2,3-b]pyridin-5-yl]oxybenzamide
CAS: 2573767-94-7
CID: 176486918
Formula: C71H73ClN12O14S2
MW: 1418.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1418.0
XLogP311.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count20
Rotatable Bond Count21
Exact Mass1416.4499151
Monoisotopic Mass1416.4499151
Topological Polar Surface Area349 Ų
Heavy Atom Count100
Formal Charge0
Complexity3040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-V051437-01Venetoclax Impurity 37
RM-V051454-01Venetoclax Impurity 54
RM-V051469-01Venetoclax Impurity 69
RM-V051431-01Venetoclax Impurity 31
RM-V051410-01Venetoclax Impurity 10
RM-V051412-01Venetoclax Impurity 12
RM-V051415-01Venetoclax Impurity 15
RM-V051421-01Venetoclax Impurity 21
RM-V051423-01Venetoclax Impurity 23
RM-V051409-01Venetoclax Impurity 9

Alternative Products

CatalogName
CS-O-33811Venetoclax Hydroxyl impurity (Venetoclax Impurity M3)
CS-O-36798Venetoclax Impurity
CS-T-82852Venetoclax Impurity 6
CS-O-62987Venetoclax Impurity 58
CS-O-47892Venetoclax Hydroxy impurity
CS-O-16745Venetoclax destetrahydropyranmethylamine impurity
CS-O-16744Venetoclax Impurity 5
CS-O-16741Venetoclax Impurity 2
CS-EO-00676Venetoclax Impurity 12
TRC-V216320-500MGVenetoclax Ester Impurity

Popular Products