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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20FN3OS
Molecular Weight 393.477
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIFLUADOM, (S)-

SMILES

CN1[C@@H](CNC(=O)C2=CSC=C2)CN=C(C3=CC=CC=C3F)C4=CC=CC=C14

InChI

InChIKey=NPGABYHTDVGGJK-MRXNPFEDSA-N
InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H20FN3OS
Molecular Weight 393.477
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 10:15:03 UTC 2023
Edited
by admin
on Sat Dec 16 10:15:03 UTC 2023
Record UNII
8PEV67L3NU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIFLUADOM, (S)-
Common Name English
3-THIOPHENECARBOXAMIDE, N-((5-(2-FLUOROPHENYL)-2,3-DIHYDRO-1-METHYL-1H-1,4-BENZODIAZEPIN-2-YL)METHYL)-, (S)-
Common Name English
3-THIOPHENECARBOXAMIDE, N-(((2S)-5-(2-FLUOROPHENYL)-2,3-DIHYDRO-1-METHYL-1H-1,4-BENZODIAZEPIN-2-YL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
8PEV67L3NU
Created by admin on Sat Dec 16 10:15:03 UTC 2023 , Edited by admin on Sat Dec 16 10:15:03 UTC 2023
PRIMARY
PUBCHEM
13367230
Created by admin on Sat Dec 16 10:15:03 UTC 2023 , Edited by admin on Sat Dec 16 10:15:03 UTC 2023
PRIMARY
CAS
85888-40-0
Created by admin on Sat Dec 16 10:15:03 UTC 2023 , Edited by admin on Sat Dec 16 10:15:03 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST