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Details

Stereochemistry RACEMIC
Molecular Formula C18H29NO5.ClH
Molecular Weight 375.888
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-Methylethoxy)ethyl 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]benzoate hydrochloride

SMILES

Cl.CC(C)NCC(O)COC1=CC=C(C=C1)C(=O)OCCOC(C)C

InChI

InChIKey=HWBDVFWKOGSIHV-UHFFFAOYSA-N
InChI=1S/C18H29NO5.ClH/c1-13(2)19-11-16(20)12-24-17-7-5-15(6-8-17)18(21)23-10-9-22-14(3)4;/h5-8,13-14,16,19-20H,9-12H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C18H29NO5
Molecular Weight 339.4266
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:02:17 GMT 2023
Edited
by admin
on Sat Dec 16 11:02:17 GMT 2023
Record UNII
446U2LC8ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(1-Methylethoxy)ethyl 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]benzoate hydrochloride
Systematic Name English
2-isopropoxyethyl 4-(2-hydroxy-3-(isopropylamino)propoxy)benzoate hydrochloride
Systematic Name English
Keto Bisoprolol Hydrochloride
Common Name English
Benzoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, 2-(1-methylethoxy)ethyl ester, hydrochloride (1:1)
Systematic Name English
4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic Acid 2-Isopropoxyethyl Ester Hydrochloride
Common Name English
Code System Code Type Description
PUBCHEM
71749142
Created by admin on Sat Dec 16 11:02:17 GMT 2023 , Edited by admin on Sat Dec 16 11:02:17 GMT 2023
PRIMARY
FDA UNII
446U2LC8ZE
Created by admin on Sat Dec 16 11:02:17 GMT 2023 , Edited by admin on Sat Dec 16 11:02:17 GMT 2023
PRIMARY
CAS
1346603-26-6
Created by admin on Sat Dec 16 11:02:17 GMT 2023 , Edited by admin on Sat Dec 16 11:02:17 GMT 2023
PRIMARY
Related Record Type Details
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