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Alsterpaullone 100mg

CAT: 0628-A20318-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A20318-100Size:100 mg
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CAS Number
237430-03-4

Chemical Information

Alsterpaullone

Alsterpaullone is an organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole. It has a role as an antineoplastic agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an anti-HIV-1 agent, an apoptosis inducer, an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a member of caprolactams, a C-nitro compound and an organic heterotetracyclic compound. It is functionally related to a paullone.

CAS Number237430-03-4
PubChem CID5005498
IUPAC Name9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
Molecular FormulaC16H11N3O3
Molecular Weight293.28
XLogP2.4
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity478
SMILES
C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
InChIKey
OLUKILHGKRVDCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alsterpaullone
CAS: 237430-03-4
CID: 5005498
Formula: C16H11N3O3
MW: 293.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.28
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass293.08004122
Monoisotopic Mass293.08004122
Topological Polar Surface Area90.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity478
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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