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

Details

Stereochemistry RACEMIC
Molecular Formula C27H41NO6
Molecular Weight 475.6175
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-BIS(2-HYDROXY-3-(4-(2-METHOXYETHYL)PHENOXY)PROPYL)ISOPROPYLAMINE

SMILES

COCCC1=CC=C(OCC(O)CN(CC(O)COC2=CC=C(CCOC)C=C2)C(C)C)C=C1

InChI

InChIKey=FPFJXNCXQDHWGC-UHFFFAOYSA-N
InChI=1S/C27H41NO6/c1-21(2)28(17-24(29)19-33-26-9-5-22(6-10-26)13-15-31-3)18-25(30)20-34-27-11-7-23(8-12-27)14-16-32-4/h5-12,21,24-25,29-30H,13-20H2,1-4H3

HIDE SMILES / InChI
Molecular Formula C27H41NO6
Molecular Weight 475.6175
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:26 GMT 2023
Record UNII
362AWY4SP0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-BIS(2-HYDROXY-3-(4-(2-METHOXYETHYL)PHENOXY)PROPYL)ISOPROPYLAMINE
Systematic Name English
METOPROLOL RELATED COMPOUND D [USP IMPURITY]
Common Name English
METOPROLOL RELATED COMPOUND D [USP-RS]
Common Name English
1,1'-((1-METHYLETHYL)IMINO)BIS(3-(4-(2-METHOXYETHYL)PHENOXY)PROPAN-2-OL)
Systematic Name English
2-PROPANOL, 1,1'-((1-METHYLETHYL)IMINO)BIS(3-(4-(2-METHOXYETHYL)PHENOXY)-
Systematic Name English
(±)-N,N-BIS(2-HYDROXY-3-(4-(2-METHOXYETHYL)PHENOXY)PROPYL)(1-METHYLETHYL)AMINE
Systematic Name English
METOPROLOL SUCCINATE IMPURITY O [EP IMPURITY]
Common Name English
METOPROLOL TARTRATE IMPURITY O [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
154784-36-8
Created by admin on Sat Dec 16 08:09:27 GMT 2023 , Edited by admin on Sat Dec 16 08:09:27 GMT 2023
PRIMARY
FDA UNII
362AWY4SP0
Created by admin on Sat Dec 16 08:09:27 GMT 2023 , Edited by admin on Sat Dec 16 08:09:27 GMT 2023
PRIMARY
PUBCHEM
46782247
Created by admin on Sat Dec 16 08:09:27 GMT 2023 , Edited by admin on Sat Dec 16 08:09:27 GMT 2023
PRIMARY
RS_ITEM_NUM
1441265
Created by admin on Sat Dec 16 08:09:27 GMT 2023 , Edited by admin on Sat Dec 16 08:09:27 GMT 2023
PRIMARY
Related Record Type Details
Structure of 1,1'-((1-METHYLETHYL)IMINO)BIS(3-(4-(2-METHOXYETHYL)PHENOXY)-2-PROPANOL) HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of METOPROLOL TARTRATE
PARENT -> IMPURITY
Structure of METOPROLOL FUMARATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of METOPROLOL SUCCINATE
PARENT -> IMPURITY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966