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Venetoclax Impurity 18

CAT: 1299-RM-V051418-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V051418-01Size:10 mg
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CAS Number
2227206-05-3
Synonyms
1- ((5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl) methyl) piperazine
Molecular Formula
C19H28N2
Molecular Weight
284.45
Target Alternative Name
Venetoclax
Product Name Synonym
1- ((5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl) methyl) piperazine

Chemical Information

Venetoclax KSM-II(Des Chloro)
CAS Number2227206-05-3
PubChem CID139554085
IUPAC Name1-[(4,4-dimethyl-2-phenylcyclohexen-1-yl)methyl]piperazine
Molecular FormulaC19H28N2
Molecular Weight284.4
XLogP3
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity371
SMILES
CC1(CCC(=C(C1)C2=CC=CC=C2)CN3CCNCC3)C
InChI
InChI=1S/C19H28N2/c1-19(2)9-8-17(15-21-12-10-20-11-13-21)18(14-19)16-6-4-3-5-7-16/h3-7,20H,8-15H2,1-2H3
InChIKey
KBEDXAFOYZVAMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Venetoclax KSM-II(Des Chloro)
CAS: 2227206-05-3
CID: 139554085
Formula: C19H28N2
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass284.225248902
Monoisotopic Mass284.225248902
Topological Polar Surface Area15.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity371
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