SQ-12182

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H27NO4
Molecular Weight	309.4006
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2

InChI

InChIKey=VWPOSFSPZNDTMJ-CFVMTHIKSA-N

InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14+,15-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Beta-1 adrenergic receptor 158 Target ID: CHEMBL213 Sources: http://www.drugbank.ca/drugs/DB01203 \| https://www.tandfonline.com/doi/abs/10.1080/10826079608001222 \| https://www.ncbi.nlm.nih.gov/pubmed/7655302	Antagonist 2778
Beta-2 adrenergic receptor 203 Target ID: CHEMBL210 Sources: http://www.drugbank.ca/drugs/DB01203 \| https://www.tandfonline.com/doi/abs/10.1080/10826079608001222 \| https://www.ncbi.nlm.nih.gov/pubmed/7655302	Antagonist 2778

Name

Type

Language

SQ-12182

Common Name

English

2,3-NAPHTHALENEDIOL, 5-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2.ALPHA.,3.ALPHA.,5(S*))-(±)-

Common Name

English

SQ 12182

Code

English

2,3-NAPHTHALENEDIOL, 5-(((2R)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)OXY)-1,2,3,4-TETRAHYDRO-, (2S,3R)-REL

Common Name

English

2,3-NAPHTHALENEDIOL, 5-((2R)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2S,3R)-REL-

Common Name

English

2,3-NAPHTHALENEDIOL, 5-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2.ALPHA.,3.ALPHA.,5(S*))-

Common Name

English

Code System Code Type Description

CAS

98391-45-8

Created by admin on Fri Dec 15 15:46:47 UTC 2023 , Edited by admin on Fri Dec 15 15:46:47 UTC 2023

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PUBCHEM

7048712

Created by admin on Fri Dec 15 15:46:47 UTC 2023 , Edited by admin on Fri Dec 15 15:46:47 UTC 2023

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FDA UNII

4HM3L89S6A

Created by admin on Fri Dec 15 15:46:47 UTC 2023 , Edited by admin on Fri Dec 15 15:46:47 UTC 2023

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EPA CompTox

DTXSID90243565

Created by admin on Fri Dec 15 15:46:47 UTC 2023 , Edited by admin on Fri Dec 15 15:46:47 UTC 2023

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SUBSTANCE RECORD


					4HM3L89S6A

SQ-12182