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BSI-201

CAT: 1410-M12297-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12297-01Size:5 mg
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Description
BSI-201 (Iniparib; NSC 746045; IND-71677; SAR240550) is a potent, small molecule PARP1 inhibitor with strong anti-neoplastic effect.
CAS Number
160003-66-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
292.0307
Molecular Formula
C7H5IN2O3
Notes
Research use only, not for human use.
Receptor
PARP1

Chemical Information

Iniparib

4-iodo-3-nitrobenzamide is an organohalogen compound and a carbonyl compound.

CAS Number160003-66-7
PubChem CID9796068
IUPAC Name4-iodo-3-nitrobenzamide
Molecular FormulaC7H5IN2O3
Molecular Weight292.03
XLogP1.3
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity228
SMILES
C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I
InChI
InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKey
MDOJTZQKHMAPBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iniparib
CAS: 160003-66-7
CID: 9796068
Formula: C7H5IN2O3
MW: 292.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight292.03
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass291.93449
Monoisotopic Mass291.93449
Topological Polar Surface Area88.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity228
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