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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H26N4O6S
Molecular Weight 414.477
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TIMOLOL MALEATE ESTER

SMILES

CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)OC(=O)\C=C/C(O)=O

InChI

InChIKey=MGIAXRFZDNBKRF-RXNFCKPNSA-N
InChI=1S/C17H26N4O6S/c1-17(2,3)18-10-12(27-14(24)5-4-13(22)23)11-26-16-15(19-28-20-16)21-6-8-25-9-7-21/h4-5,12,18H,6-11H2,1-3H3,(H,22,23)/b5-4-/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H26N4O6S
Molecular Weight 414.477
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:07:08 UTC 2023
Edited
by admin
on Sat Dec 16 10:07:08 UTC 2023
Record UNII
J2V3WF497E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIMOLOL MALEATE ESTER
Common Name English
TIMOLOL MALEATE IMPURITY E [EP IMPURITY]
Common Name English
2-BUTENEDIOIC ACID (2Z)-, 1-((1S)-1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-2-((4-(4-MORPHOLINYL)-1,2,5-THIADIAZOL-3-YL)OXY)ETHYL) ESTER
Systematic Name English
(2Z)-4-((1S)-1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-2-((4-(MORPHOLIN-4-YL)-1,2,5-THIADIAZOL-3-YL)OXY)ETHOXY)-4-OXOBUT-2-ENOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
10112466
Created by admin on Sat Dec 16 10:07:08 UTC 2023 , Edited by admin on Sat Dec 16 10:07:08 UTC 2023
PRIMARY
FDA UNII
J2V3WF497E
Created by admin on Sat Dec 16 10:07:08 UTC 2023 , Edited by admin on Sat Dec 16 10:07:08 UTC 2023
PRIMARY
CAS
1026075-53-5
Created by admin on Sat Dec 16 10:07:08 UTC 2023 , Edited by admin on Sat Dec 16 10:07:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
not more than twice the area of the principal peak in the chromatogram obtained with reference solution (a)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP