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Details

Stereochemistry RACEMIC
Molecular Formula C13H24N4O3S
Molecular Weight 316.42
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((2RS)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)-4-(MORPHOLIN-4-YL)-1,2,5-THIADIAZOL-3(2H)-ONE

SMILES

CC(C)(C)NCC(O)CN1SN=C(N2CCOCC2)C1=O

InChI

InChIKey=NRTPOFNBMLVPDO-UHFFFAOYSA-N
InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-17-12(19)11(15-21-17)16-4-6-20-7-5-16/h10,14,18H,4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H24N4O3S
Molecular Weight 316.42
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 10:06:40 UTC 2023
Edited
by admin
on Sat Dec 16 10:06:40 UTC 2023
Record UNII
UR1ME7XC9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((2RS)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)-4-(MORPHOLIN-4-YL)-1,2,5-THIADIAZOL-3(2H)-ONE
Systematic Name English
TIMOLOL MALEATE IMPURITY H [EP IMPURITY]
Common Name English
1,2,5-THIADIAZOL-3(2H)-ONE, 2-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)-4-(4-MORPHOLINYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001119361
Created by admin on Sat Dec 16 10:06:40 UTC 2023 , Edited by admin on Sat Dec 16 10:06:40 UTC 2023
PRIMARY
PUBCHEM
72941706
Created by admin on Sat Dec 16 10:06:40 UTC 2023 , Edited by admin on Sat Dec 16 10:06:40 UTC 2023
PRIMARY
CAS
158636-97-6
Created by admin on Sat Dec 16 10:06:40 UTC 2023 , Edited by admin on Sat Dec 16 10:06:40 UTC 2023
PRIMARY
FDA UNII
UR1ME7XC9B
Created by admin on Sat Dec 16 10:06:40 UTC 2023 , Edited by admin on Sat Dec 16 10:06:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (GC)
EP