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Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO2
Molecular Weight 223.3113
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[(1-Methylethyl)amino]-3-(4-methylphenoxy)-2-propanol

SMILES

CC(C)NCC(O)COC1=CC=C(C)C=C1

InChI

InChIKey=MJXGIIVJTPVZCW-UHFFFAOYSA-N
InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H21NO2
Molecular Weight 223.3113
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 18:12:07 GMT 2023
Edited
by admin
on Sat Dec 16 18:12:07 GMT 2023
Record UNII
R4Q6TEJ7YM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[(1-Methylethyl)amino]-3-(4-methylphenoxy)-2-propanol
Systematic Name English
(2RS)-1-(isopropylamino)-3-(4-methylphenoxy)propan-2-ol
Systematic Name English
Bisoprolol fumarate impurity R [EP impurity]
Common Name English
2-Propanol, 1-[(1-methylethyl)amino]-3-(4-methylphenoxy)-
Systematic Name English
1-Isopropylamino-3-(p-tolyloxy)-2-propanol
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40385641
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
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FDA UNII
R4Q6TEJ7YM
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
PRIMARY
CAS
5790-46-5
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
PRIMARY
PUBCHEM
2840793
Created by admin on Sat Dec 16 18:12:08 GMT 2023 , Edited by admin on Sat Dec 16 18:12:08 GMT 2023
PRIMARY