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Pindolol dimer-d7

CAT: 0926-WZB81562-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB81562-02Size:10 mg
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CAS Number
1246815-62-2
Smiles
CC (C) N (CC (COC1=CC=CC2=C1C=CN2) O) CC (COC3=CC=CC4=C3C=CN4) O
Molecular Formula
C25H31N3O4
Molecular Weight
444.6 g/mol
Controlled
No

Chemical Information

Pindolol dimer-d7
CAS Number1246815-62-2
PubChem CID71750352
IUPAC Name1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-3-(1H-indol-4-yloxy)propan-2-ol
Molecular FormulaC25H31N3O4
Molecular Weight444.6
XLogP3.4
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity521
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CC(COC1=CC=CC2=C1C=CN2)O)CC(COC3=CC=CC4=C3C=CN4)O
InChI
InChI=1S/C25H31N3O4/c1-17(2)28(13-18(29)15-31-24-7-3-5-22-20(24)9-11-26-22)14-19(30)16-32-25-8-4-6-23-21(25)10-12-27-23/h3-12,17-19,26-27,29-30H,13-16H2,1-2H3/i1D3,2D3,17D
InChIKey
BLCDDLOHQZZMHH-WFBMWZOZSA-N
Chemical Structure
2D Structure
2D structure of Pindolol dimer-d7
CAS: 1246815-62-2
CID: 71750352
Formula: C25H31N3O4
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass444.27539370
Monoisotopic Mass444.27539370
Topological Polar Surface Area93.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity521
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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