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CB 1837

CAT: 0013-GTR19195210-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195210-01Size:25 mg
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Description
CB 1837 is a small molecule compound with anti-tumor properties, utilized in cancer research. It serves as a valuable tool for investigating oncogenic pathways and evaluating therapeutic efficacy in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
27141-65-7
Smiles
N (=O) (=O) C1=C (C=CC (N (=O) =O) =C1) N2CC2
Molecular Formula
C8H7N3O4
Molecular Weight
209.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CB 1837

RN given refers to parent cpd; structure

CAS Number27141-65-7
PubChem CID94803
IUPAC Name1-(2,4-dinitrophenyl)aziridine
Molecular FormulaC8H7N3O4
Molecular Weight209.16
XLogP1.4
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity281
SMILES
C1CN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O4/c12-10(13)6-1-2-7(9-3-4-9)8(5-6)11(14)15/h1-2,5H,3-4H2
InChIKey
TVSWGBWBKSQDMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CB 1837
CAS: 27141-65-7
CID: 94803
Formula: C8H7N3O4
MW: 209.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.16
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass209.04365571
Monoisotopic Mass209.04365571
Topological Polar Surface Area94.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity281
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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