SNP

1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL

Created:	2000-01-26
Last modified:	2021-03-01

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4 entries where SNP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	11

2D diagram of SNP

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Chemical Component Summary
Name	1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL
Synonyms	S-PROPRANOLOL
Systematic Name (OpenEye OEToolkits)	(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Formula	C₁₆ H₂₁ N O₂
Molecular Weight	259.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(CNC(C)C)COc2cccc1ccccc12
SMILES	CACTVS	3.341	CC(C)NC[CH](O)COc1cccc2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	CC(C)NCC(COc1cccc2c1cccc2)O
Canonical SMILES	CACTVS	3.341	CC(C)NC[C@H](O)COc1cccc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)NC[C@@H](COc1cccc2c1cccc2)O
InChI	InChI	1.03	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
InChIKey	InChI	1.03	AQHHHDLHHXJYJD-AWEZNQCLSA-N

Drug Info: DrugBank

DrugBank ID	DB03322
Name	Dexpropranolol
Groups	experimental
Synonyms	(+)-Propranolol Dexpropranolol (R)-(+)-propranolol R (+)-Propanolol R-(+)-Propranolol (+)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol 2R-Propranolol D-Propranolol
Categories	Adrenergic Agents Adrenergic Antagonists Adrenergic beta-Antagonists Alcohols Amines Amino Alcohols Antiarrhythmic agents Antihypertensive Agents Cardiovascular Agents Naphthalenes Neurotransmitter Agents Phenoxypropanolamines Propanolamines Propanols Vasodilating Agents
CAS number	5051-22-9

Related Resource References

Resource Name	Reference
Pharos	CHEMBL452861
PubChem	91536
ChEMBL	CHEMBL452861
CCDC/CSD	PROPRA10, IMITON

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.