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Butoprozine HCl

CAT: 0013-GTR19200506-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200506-01Size:25 mg
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Description
Butoprozine HCl
CAS Number
62134-34-3
Smiles
Cl.O=C (C1=CC=C (OCCCN (CCCC) CCCC) C=C1) C2=C (C=C3C=CC=CN32) CC
Molecular Formula
C28H39ClN2O2
Molecular Weight
471.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Butoprozine Hydrochloride

See also: Butoprozine (has active moiety).

CAS Number62134-34-3
PubChem CID71958
IUPAC Name[4-[3-(dibutylamino)propoxy]phenyl]-(2-ethylindolizin-3-yl)methanone;hydrochloride
Molecular FormulaC28H39ClN2O2
Molecular Weight471.1
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity524
SMILES
CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2C=CC=C3)CC.Cl
InChI
InChI=1S/C28H38N2O2.ClH/c1-4-7-17-29(18-8-5-2)19-11-21-32-26-15-13-24(14-16-26)28(31)27-23(6-3)22-25-12-9-10-20-30(25)27;/h9-10,12-16,20,22H,4-8,11,17-19,21H2,1-3H3;1H
InChIKey
DXHWOBBGGCYHNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butoprozine Hydrochloride
CAS: 62134-34-3
CID: 71958
Formula: C28H39ClN2O2
MW: 471.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass470.2700062
Monoisotopic Mass470.2700062
Topological Polar Surface Area34 Ų
Heavy Atom Count33
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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