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Veliparib dihydrochloride

CAT: 0607-A3958-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3958-10Size:10 mg
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Description
PARP-1/PARP-2 inhibitor
CAS Number
912445-05-7
Product Name Alternative
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
Sequence
ABT-888 dihydrochloride;ABT888 dihydrochloride;ABT 888 dihydrochloride
Field of Research
Chromatin Epigenetics PARP DNA Damage DNA Repair PARP
Purity
0.9856
Form
A solid
Solubility
≥31.7 mg/mL in DMSO; ≥104 mg/mL in H2O; ≥3.3 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl
Molecular Formula
C13H18Cl2N4O
Molecular Weight
317.21
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CAS Number912445-05-7
PubChem CID45480520
IUPAC Name2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.21
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity348
SMILES
C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl
InChI
InChI=1S/C13H16N4O.2ClH/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12;;/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17);2*1H/t13-;;/m1../s1
InChIKey
DSBSVDCHFMEYBX-FFXKMJQXSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CAS: 912445-05-7
CID: 45480520
Formula: C13H18Cl2N4O
MW: 317.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.21
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass316.0857666
Monoisotopic Mass316.0857666
Topological Polar Surface Area83.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3845786-01Veliparib dihydrochloride
HY-10130-01Veliparib (dihydrochloride)
HY-10130RVeliparib (dihydrochloride) (Standard)
A21356-200Veliparib dihydrochloride 200mg
A21356-10Veliparib dihydrochloride 10mg
A21356-50Veliparib dihydrochloride 50mg
A21356-100Veliparib dihydrochloride 100mg
A21356-25Veliparib dihydrochloride 25mg
A21356-5Veliparib dihydrochloride 5mg
A21356-10mM-DVeliparib dihydrochloride 10mM * 1mL in DMSO

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