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Bisobrin

CAT: 0931-T88198-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88198-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22407-74-5
Target
Others
Related Pathways
Others
Bioactivity
Bisobrin (EN-1661), a synthetic compound, potentially influences the thrombolytic system to enhance thrombolysis, which may contribute to the prevention of thrombotic diseases.
Smiles
C(CCC[C@@H]1C=2C(=CC(OC)=C(OC)C2)CCN1)[C@H]3C=4C(=CC(OC)=C(OC)C4)CCN3
Molecular Formula
C26H36N2O4
Molecular Weight
440.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bisobrin

Bisobrin is a small molecule drug. Bisobrin has a monoisotopic molecular weight of 440.27 Da.

CAS Number22407-74-5
PubChem CID3037067
IUPAC Name(1S)-1-[4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Molecular FormulaC26H36N2O4
Molecular Weight440.6
XLogP3.8
Topological Polar Surface Area61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity516
SMILES
COC1=C(C=C2[C@H](NCCC2=C1)CCCC[C@H]3C4=CC(=C(C=C4CCN3)OC)OC)OC
InChI
InChI=1S/C26H36N2O4/c1-29-23-13-17-9-11-27-21(19(17)15-25(23)31-3)7-5-6-8-22-20-16-26(32-4)24(30-2)14-18(20)10-12-28-22/h13-16,21-22,27-28H,5-12H2,1-4H3/t21-,22+
InChIKey
CYVSPLIJDCJRGR-SZPZYZBQSA-N
Chemical Structure
2D Structure
2D structure of Bisobrin
CAS: 22407-74-5
CID: 3037067
Formula: C26H36N2O4
MW: 440.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass440.26750763
Monoisotopic Mass440.26750763
Topological Polar Surface Area61 Ų
Heavy Atom Count32
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19234017-01Bisobrin

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