U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H31NO3
Molecular Weight 309.4436
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-(2-BUTOXYETHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-2-PROPANOL

SMILES

CCCCOCCC1=CC=C(OCC(O)CNC(C)C)C=C1

InChI

InChIKey=MKCUROGLDRTSBT-UHFFFAOYSA-N
InChI=1S/C18H31NO3/c1-4-5-11-21-12-10-16-6-8-18(9-7-16)22-14-17(20)13-19-15(2)3/h6-9,15,17,19-20H,4-5,10-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H31NO3
Molecular Weight 309.4436
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 18:17:54 UTC 2023
Edited
by admin
on Sat Dec 16 18:17:54 UTC 2023
Record UNII
R44AXK66UW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-(2-BUTOXYETHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-2-PROPANOL
Systematic Name English
(2RS)-1-(4-(2-BUTOXYETHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)PROPAN-2-OL
Common Name English
2-PROPANOL, 1-(4-(2-BUTOXYETHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-
Systematic Name English
BETAXOLOL OPEN CHAIN ANALOG
Common Name English
BETAXOLOL HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
71315559
Created by admin on Sat Dec 16 18:17:54 UTC 2023 , Edited by admin on Sat Dec 16 18:17:54 UTC 2023
PRIMARY
CAS
1329613-85-5
Created by admin on Sat Dec 16 18:17:54 UTC 2023 , Edited by admin on Sat Dec 16 18:17:54 UTC 2023
PRIMARY
FDA UNII
R44AXK66UW
Created by admin on Sat Dec 16 18:17:54 UTC 2023 , Edited by admin on Sat Dec 16 18:17:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP