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Details

Stereochemistry RACEMIC
Molecular Formula C20H27NO3
Molecular Weight 329.4333
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BENZYL ALBUTEROL

SMILES

CC(C)(C)NCC(O)C1=CC=C(OCC2=CC=CC=C2)C(CO)=C1

InChI

InChIKey=ICDQPCBDGAHBGG-UHFFFAOYSA-N
InChI=1S/C20H27NO3/c1-20(2,3)21-12-18(23)16-9-10-19(17(11-16)13-22)24-14-15-7-5-4-6-8-15/h4-11,18,21-23H,12-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H27NO3
Molecular Weight 329.4333
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:59:29 UTC 2023
Edited
by admin
on Sat Dec 16 05:59:29 UTC 2023
Record UNII
2092ANO5GJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-BENZYL ALBUTEROL
Common Name English
(±)-1-(4-(BENZYLOXY)-3-(HYDROXYMETHYL)PHENYL)-2-(TERT-BUTYLAMINO)ETHANOL
Systematic Name English
SALBUTAMOL SULFATE IMPURITY I [EP IMPURITY]
Common Name English
SALBUTAMOL IMPURITY I [EP IMPURITY]
Common Name English
1,3-BENZENEDIMETHANOL, .ALPHA.1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-(PHENYLMETHOXY)-
Common Name English
1-(4-(BENZYLOXY)-3-(HYDROXYMETHYL)PHENYL)-2-(TERT-BUTYLAMINO)ETHANOL
Systematic Name English
(1RS)-2-((1,1-DIMETHYLETHYL)AMINO)-1-(4-(BENZYLOXY)-3-(HYDROXYMETHYL)PHENYL)ETHANOL
Systematic Name English
Code System Code Type Description
FDA UNII
2092ANO5GJ
Created by admin on Sat Dec 16 05:59:30 UTC 2023 , Edited by admin on Sat Dec 16 05:59:30 UTC 2023
PRIMARY
CAS
56796-66-8
Created by admin on Sat Dec 16 05:59:30 UTC 2023 , Edited by admin on Sat Dec 16 05:59:30 UTC 2023
PRIMARY
ECHA (EC/EINECS)
260-385-8
Created by admin on Sat Dec 16 05:59:30 UTC 2023 , Edited by admin on Sat Dec 16 05:59:30 UTC 2023
PRIMARY
PUBCHEM
92535
Created by admin on Sat Dec 16 05:59:30 UTC 2023 , Edited by admin on Sat Dec 16 05:59:30 UTC 2023
PRIMARY
Related Record Type Details
INNOVATOR->PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
INNOVATOR->PARENT
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY