Nadolol

Synonyms: (2R,3S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol, "Corgard", "Solgol", "Anabet", "SQ-11725", "(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol"

Source: Nadolol is a drug that belongs to the class of drugs called beta blockers. These types of drugs are used for treating high blood pressure or hypertension, tremor, abnormal heartbeat, chest pain, heart pain, and anxiety.

Identifiers:

IUPAC Name: (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
CAS Number: 42200-33-9
PubChem ID: 39147
InChiKey: VWPOSFSPZNDTMJ-UCWKZMIHSA-N
Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O

Structural Properties:

Molecular Formula: C₁₇H₂₇NO₄
Molecular Weight: 309,400

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 5
Number of atoms different from hydrogen: 22

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

External Links

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2D-structure

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