U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20FN3OS.ClH
Molecular Weight 429.938
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tifluadom hydrochloride (R)-

SMILES

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

InChI

InChIKey=JFZSUQQSHDYRGA-NTISSMGPSA-N
InChI=1S/C22H20FN3OS.ClH/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);1H/t16-;/m0./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

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 10:15:03 GMT 2023
Edited
by admin
on Sat Dec 16 10:15:03 GMT 2023
Record UNII
3WC3J64ZTZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tifluadom hydrochloride (R)-
Common Name English
3-THIOPHENECARBOXAMIDE, N-((5-(2-FLUOROPHENYL)-2,3-DIHYDRO-1-METHYL-1H-1,4-BENZODIAZEPIN-2-YL)METHYL)-, HYDROCHLORIDE (1:1), (R)-
Systematic Name English
3-THIOPHENECARBOXAMIDE, N-((5-(2-FLUOROPHENYL)-2,3-DIHYDRO-1-METHYL-1H-1,4-BENZODIAZEPIN-2-YL)METHYL)-, MONOHYDROCHLORIDE, (R)-
Common Name English
Code System Code Type Description
PUBCHEM
163285647
Created by admin on Sat Dec 16 10:15:03 GMT 2023 , Edited by admin on Sat Dec 16 10:15:03 GMT 2023
PRIMARY
FDA UNII
3WC3J64ZTZ
Created by admin on Sat Dec 16 10:15:03 GMT 2023 , Edited by admin on Sat Dec 16 10:15:03 GMT 2023
PRIMARY