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Enerisant hydrochloride

CAT: 0013-GTR19209902-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209902-01Size:1 mg
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Description
Enerisant HCl
CAS Number
1152749-07-9
Product Name Alternative
CYP, Enerisant HCl, H3 receptor, Histamine Receptor, HistamineReceptor, QD-232, QD 232
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.30% (May vary between batches)
Solubility
DMSO:50 mg/mL (114.95 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.6 mM)
Smiles
C (=O) (C1=CN (N=C1) C2=CC=C (OCCCN3[C@H] (C) CCC3) C=C2) N4CCOCC4.Cl
Molecular Formula
C22H31ClN4O3
Molecular Weight
434.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Enerisant hydrochloride
CAS Number1152749-07-9
PubChem CID66933564
IUPAC Name[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone;hydrochloride
Molecular FormulaC22H31ClN4O3
Molecular Weight435.0
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity520
SMILES
C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)N3C=C(C=N3)C(=O)N4CCOCC4.Cl
InChI
InChI=1S/C22H30N4O3.ClH/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25;/h5-8,16-18H,2-4,9-15H2,1H3;1H/t18-;/m1./s1
InChIKey
QVMTVPSORZKQPZ-GMUIIQOCSA-N
Chemical Structure
2D Structure
2D structure of Enerisant hydrochloride
CAS: 1152749-07-9
CID: 66933564
Formula: C22H31ClN4O3
MW: 435.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass434.2084686
Monoisotopic Mass434.2084686
Topological Polar Surface Area59.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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