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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27NO6
Molecular Weight 401.4529
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nisbuterol, (R)-

SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(OC(C)=O)C=C(C=C2)[C@@H](O)CNC(C)(C)C

InChI

InChIKey=IILMJISVYWUZAB-SFHVURJKSA-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/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H27NO6
Molecular Weight 401.4529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:41:44 GMT 2025
Edited
by admin
on Mon Mar 31 23:41:44 GMT 2025
Record UNII
DFR5W3Q7ZJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nisbuterol, (R)-
Common Name English
BENZOIC ACID, 4-METHOXY-, 2-(ACETYLOXY)-4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)PHENYL ESTER, (R)-
Preferred Name English
Benzoic acid, 4-methoxy-, 2-(acetyloxy)-4-[(1R)-2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]phenyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
76962550
Created by admin on Mon Mar 31 23:41:44 GMT 2025 , Edited by admin on Mon Mar 31 23:41:44 GMT 2025
PRIMARY
CAS
2649913-46-0
Created by admin on Mon Mar 31 23:41:44 GMT 2025 , Edited by admin on Mon Mar 31 23:41:44 GMT 2025
PRIMARY
FDA UNII
DFR5W3Q7ZJ
Created by admin on Mon Mar 31 23:41:44 GMT 2025 , Edited by admin on Mon Mar 31 23:41:44 GMT 2025
PRIMARY