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Diarbarone

CAT: 0013-GTR19241814-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241814-02Size:50 mg
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Description
Diarbarone is a small molecule anticoagulant compound used in biochemical research. It is applied in in vitro studies of thrombosis and hemostasis, as well as in vivo models investigating anticoagulation mechanisms and cardiovascular disease pathways.
CAS Number
1233-70-1
Smiles
O=C1OC=2C=CC=CC2C (O) =C1C (=O) NCCN (CC) CC
Molecular Formula
C16H20N2O4
Molecular Weight
304.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diarbarone

Diarbarone is a small molecule drug. Diarbarone has a monoisotopic molecular weight of 304.14 Da.

CAS Number1233-70-1
PubChem CID54688403
IUPAC NameN-[2-(diethylamino)ethyl]-4-hydroxy-2-oxochromene-3-carboxamide
Molecular FormulaC16H20N2O4
Molecular Weight304.34
XLogP2.6
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity457
SMILES
CCN(CC)CCNC(=O)C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C16H20N2O4/c1-3-18(4-2)10-9-17-15(20)13-14(19)11-7-5-6-8-12(11)22-16(13)21/h5-8,19H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKey
OGWJLWKFDHLZHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diarbarone
CAS: 1233-70-1
CID: 54688403
Formula: C16H20N2O4
MW: 304.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.34
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass304.14230712
Monoisotopic Mass304.14230712
Topological Polar Surface Area78.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity457
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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