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Pipendoxifene hydrochloride

CAT: 0013-GTR19175944-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175944-01Size:1 mg
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Description
Pipendoxifene hydrochloride
CAS Number
245124-69-0
Product Name Alternative
Estrogen Receptor, estrogen receptor, EstrogenReceptor, ERR, Pipendoxifene hydrochloride, Pipendoxifene Hydrochloride
Field of Research
Metabolism Research
Purity
98.90% (May vary between batches)
Solubility
DMSO:90 mg/mL (182.54 mM)
Smiles
Cl.Cc1c (-c2ccc (O) cc2) n (Cc2ccc (OCCN3CCCCC3) cc2) c2ccc (O) cc12
Molecular Formula
C29H33ClN2O3
Molecular Weight
493.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pipendoxifene hydrochloride
CAS Number245124-69-0
PubChem CID11755428
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;hydrochloride
Molecular FormulaC29H33ClN2O3
Molecular Weight493.0
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity610
SMILES
CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O.Cl
InChI
InChI=1S/C29H32N2O3.ClH/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30;/h5-14,19,32-33H,2-4,15-18,20H2,1H3;1H
InChIKey
FIKCMRKZNTXMKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pipendoxifene hydrochloride
CAS: 245124-69-0
CID: 11755428
Formula: C29H33ClN2O3
MW: 493.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass492.2179706
Monoisotopic Mass492.2179706
Topological Polar Surface Area57.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity610
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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