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Su 14542

CAT: 0013-GTR19192564-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192564-01Size:25 mg
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Description
SU 14542 is a potent and selective alpha-adrenergic receptor antagonist, demonstrating 2-7 times greater potency than phentolamine in pharmacological assays. It is a valuable research tool for studying autonomic nervous system function, vascular tone, and smooth muscle contraction in both in vitro and in vivo experimental models.
CAS Number
3439-67-6
Smiles
Cl.O=C (C1=CC=C (OCCCCN2CCN (C=3C=CC=CC3) CC2) C (OC) =C1) C
Molecular Formula
C23H31ClN2O3
Molecular Weight
418.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Su 14542

RN & NM refer to mono-HCl; structure

CAS Number3439-67-6
PubChem CID18924
IUPAC Name1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
Molecular FormulaC23H31ClN2O3
Molecular Weight419.0
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity459
SMILES
CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2)C3=CC=CC=C3)OC.Cl
InChI
InChI=1S/C23H30N2O3.ClH/c1-19(26)20-10-11-22(23(18-20)27-2)28-17-7-6-12-24-13-15-25(16-14-24)21-8-4-3-5-9-21;/h3-5,8-11,18H,6-7,12-17H2,1-2H3;1H
InChIKey
ACUWFZNLGFUINP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Su 14542
CAS: 3439-67-6
CID: 18924
Formula: C23H31ClN2O3
MW: 419.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass418.2023205
Monoisotopic Mass418.2023205
Topological Polar Surface Area42 Ų
Heavy Atom Count29
Formal Charge0
Complexity459
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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