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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17FN4O2.C6H6O3S.H2O
Molecular Weight 564.585
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RSV-604A BENZENESULFONATE MONOHYDRATE

SMILES

O.OS(=O)(=O)C1=CC=CC=C1.FC2=C(NC(=O)N[C@H]3N=C(C4=CC=CC=C4)C5=C(NC3=O)C=CC=C5)C=CC=C2

InChI

InChIKey=UNWUZZHAZIPACJ-FAVHNTAZSA-N
InChI=1S/C22H17FN4O2.C6H6O3S.H2O/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14;7-10(8,9)6-4-2-1-3-5-6;/h1-13,20H,(H,24,28)(H2,25,27,29);1-5H,(H,7,8,9);1H2/t20-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C6H6O3S
Molecular Weight 158.175
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H17FN4O2
Molecular Weight 388.3944
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Respiratory syncytial virus nucleoprotein
Substance Class Chemical
Created
by admin
on Wed Apr 02 20:29:09 GMT 2025
Edited
by admin
on Wed Apr 02 20:29:09 GMT 2025
Record UNII
4R2V2N8ARQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RSV-604A BENZENESULFONATE MONOHYDRATE
Code English
RSV604A BENZENESULFONATE MONOHYDRATE
Preferred Name English
Urea, N-[(3S)-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N?-(2-fluorophenyl)-, benzenesulfonate, hydrate (1:1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
4R2V2N8ARQ
Created by admin on Wed Apr 02 20:29:09 GMT 2025 , Edited by admin on Wed Apr 02 20:29:09 GMT 2025
PRIMARY
PUBCHEM
87187606
Created by admin on Wed Apr 02 20:29:09 GMT 2025 , Edited by admin on Wed Apr 02 20:29:09 GMT 2025
PRIMARY
CAS
959391-58-3
Created by admin on Wed Apr 02 20:29:09 GMT 2025 , Edited by admin on Wed Apr 02 20:29:09 GMT 2025
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE