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Doxapram intermediate-1

CAT: 0931-T204553-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T204553-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3192-92-5
Bioactivity
Doxapram intermediate-1 (Compound II) is a pyrrolidone derivative that significantly stimulates the central nervous system (CXS) and respiratory system in dogs, usually accompanied by varying degrees of blood pressure activity.
Smiles
O=C1N(CC)CC(CCBr)C1(C=2C=CC=CC2)C=3C=CC=CC3
Molecular Formula
C20H22BrNO
Molecular Weight
372.299
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2-Bromo-ethyl)-1-ethyl-3,3-diphenyl-pyrrolidin-2-one
CAS Number3192-92-5
PubChem CID118989564
IUPAC Name4-(2-bromoethyl)-1-ethyl-3,3-diphenylpyrrolidin-2-one
Molecular FormulaC20H22BrNO
Molecular Weight372.3
XLogP4.4
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity380
SMILES
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCBr
InChI
InChI=1S/C20H22BrNO/c1-2-22-15-18(13-14-21)20(19(22)23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKey
RQWLDFSUBLIEAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Bromo-ethyl)-1-ethyl-3,3-diphenyl-pyrrolidin-2-one
CAS: 3192-92-5
CID: 118989564
Formula: C20H22BrNO
MW: 372.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass371.08848
Monoisotopic Mass371.08848
Topological Polar Surface Area20.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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