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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H15FN4O2S
Molecular Weight 286.326
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(5-AMINO-2-FLUOROPHENYL)-5,6-DIHYDRO-2,5-DIMETHYL-2H-1,2,4-THIADIAZIN-3-AMINE 1,1-DIOXIDE, (5R)-

SMILES

CN1C(N)=N[C@@](C)(CS1(=O)=O)C2=C(F)C=CC(N)=C2

InChI

InChIKey=XXTMTGDWWZJQQV-NSHDSACASA-N
InChI=1S/C11H15FN4O2S/c1-11(8-5-7(13)3-4-9(8)12)6-19(17,18)16(2)10(14)15-11/h3-5H,6,13H2,1-2H3,(H2,14,15)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H15FN4O2S
Molecular Weight 286.326
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:44:13 UTC 2023
Edited
by admin
on Sat Dec 16 13:44:13 UTC 2023
Record UNII
M73XK89BV0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(5-AMINO-2-FLUOROPHENYL)-5,6-DIHYDRO-2,5-DIMETHYL-2H-1,2,4-THIADIAZIN-3-AMINE 1,1-DIOXIDE, (5R)-
Systematic Name English
2H-1,2,4-THIADIAZIN-3-AMINE, 5-(5-AMINO-2-FLUOROPHENYL)-5,6-DIHYDRO-2,5-DIMETHYL-, 1,1-DIOXIDE, (5R)-
Systematic Name English
VERUBECESTAT ANILINE METABOLITE
Common Name English
Code System Code Type Description
CAS
1975138-46-5
Created by admin on Sat Dec 16 13:44:13 UTC 2023 , Edited by admin on Sat Dec 16 13:44:13 UTC 2023
PRIMARY
PUBCHEM
68363882
Created by admin on Sat Dec 16 13:44:13 UTC 2023 , Edited by admin on Sat Dec 16 13:44:13 UTC 2023
PRIMARY
FDA UNII
M73XK89BV0
Created by admin on Sat Dec 16 13:44:13 UTC 2023 , Edited by admin on Sat Dec 16 13:44:13 UTC 2023
PRIMARY
Related Record Type Details
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