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Details

Stereochemistry RACEMIC
Molecular Formula C22H27NO6
Molecular Weight 401.4529
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NISBUTEROL

SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2OC(C)=O)C(O)CNC(C)(C)C

InChI

InChIKey=IILMJISVYWUZAB-UHFFFAOYSA-N
InChI=1S/C22H27NO6/c1-14(24)28-20-12-16(18(25)13-23-22(2,3)4)8-11-19(20)29-21(26)15-6-9-17(27-5)10-7-15/h6-12,18,23,25H,13H2,1-5H3

HIDE SMILES / InChI
Name Type Language
NISBUTEROL
INN  
INN  
Official Name English
nisbuterol [INN]
Common Name English
(±)-.ALPHA.-((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL 3-ACETATE 4-P-ANISATE
Common Name English
BENZOIC ACID, 4-METHOXY-, 2-(ACETYLOXY)-4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)PHENYL ESTER,(±)-
Common Name English
BENZOIC ACID, 4-METHOXY-, 2-(ACETYLOXY)-4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)PHENYL ESTER
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C319
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
Code System Code Type Description
EVMPD
SUB09305MIG
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
CAS
60734-87-4
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
SUPERSEDED
CAS
57540-78-0
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
INN
4333
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
PUBCHEM
3047793
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111023
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
NCI_THESAURUS
C90819
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
SMS_ID
100000083908
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID30976209
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY
FDA UNII
NKL13V61JH
Created by admin on Fri Dec 15 16:20:20 GMT 2023 , Edited by admin on Fri Dec 15 16:20:20 GMT 2023
PRIMARY