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Venetoclax Impurity 36

CAT: 1299-RM-V051436-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V051436-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2180923-65-1
Synonyms
2- ((1H-pyrrolo[2,3-b]pyridin-5-yl) oxy) -4-bromo-N- ((3-nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) phenyl) sulfonyl) benzamide
Molecular Formula
C26H24BrN5O7S
Molecular Weight
630.47
Target Alternative Name
Venetoclax
Product Name Synonym
2- ((1H-pyrrolo[2,3-b]pyridin-5-yl) oxy) -4-bromo-N- ((3-nitro-4- (((tetrahydro-2H-pyran-4-yl) methyl) amino) phenyl) sulfonyl) benzamide

Chemical Information

2-[(7-Azaindole-5-yl)oxy]-4-bromo-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]benzamide
CAS Number2180923-65-1
PubChem CID134231274
IUPAC Name4-bromo-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular FormulaC26H24BrN5O7S
Molecular Weight630.5
XLogP4.9
Topological Polar Surface Area177
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity989
SMILES
C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=C(C=C(C=C3)Br)OC4=CN=C5C(=C4)C=CN5)[N+](=O)[O-]
InChI
InChI=1S/C26H24BrN5O7S/c27-18-1-3-21(24(12-18)39-19-11-17-5-8-28-25(17)30-15-19)26(33)31-40(36,37)20-2-4-22(23(13-20)32(34)35)29-14-16-6-9-38-10-7-16/h1-5,8,11-13,15-16,29H,6-7,9-10,14H2,(H,28,30)(H,31,33)
InChIKey
IGQOSBFNVVPXTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(7-Azaindole-5-yl)oxy]-4-bromo-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]benzamide
CAS: 2180923-65-1
CID: 134231274
Formula: C26H24BrN5O7S
MW: 630.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.5
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass629.05798
Monoisotopic Mass629.05798
Topological Polar Surface Area177 Ų
Heavy Atom Count40
Formal Charge0
Complexity989
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

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