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Details

Stereochemistry ACHIRAL
Molecular Formula C25H30ClN5O3
Molecular Weight 483.99
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Brezivaptan

SMILES

CC(C)NC(=O)CN1C(=O)N(N=C1C2=CC=CC(Cl)=C2)C3=CC=C(CCN4CCOCC4)C=C3

InChI

InChIKey=YCLGGNJZGIFVKX-UHFFFAOYSA-N
InChI=1S/C25H30ClN5O3/c1-18(2)27-23(32)17-30-24(20-4-3-5-21(26)16-20)28-31(25(30)33)22-8-6-19(7-9-22)10-11-29-12-14-34-15-13-29/h3-9,16,18H,10-15,17H2,1-2H3,(H,27,32)

HIDE SMILES / InChI

Molecular Formula C25H30ClN5O3
Molecular Weight 483.99
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 Mon Mar 31 22:09:16 GMT 2025
Edited
by admin
on Mon Mar 31 22:09:16 GMT 2025
Record UNII
575OB1CKN0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Brezivaptan
INN  
Official Name English
THY-1773
Preferred Name English
TS-121
Code English
ANC-501
Common Name English
4H-1,2,4-Triazole-4-acetamide, 3-(3-chlorophenyl)-1,5-dihydro-N-(1-methylethyl)-1-[4-[2-(4-morpholinyl)ethyl]phenyl]-5-oxo-
Systematic Name English
brezivaptan [INN]
Common Name English
3-(3-Chlorophenyl)-1,5-dihydro-N-(1-methylethyl)-1-[4-[2-(4-morpholinyl)ethyl]phenyl]-5-oxo-4H-1,2,4-triazole-4-acetamide
Systematic Name English
THY1773
Code English
Code System Code Type Description
SMS_ID
300000054575
Created by admin on Mon Mar 31 22:09:16 GMT 2025 , Edited by admin on Mon Mar 31 22:09:16 GMT 2025
PRIMARY
CAS
1370444-22-6
Created by admin on Mon Mar 31 22:09:16 GMT 2025 , Edited by admin on Mon Mar 31 22:09:16 GMT 2025
PRIMARY
PUBCHEM
56952080
Created by admin on Mon Mar 31 22:09:16 GMT 2025 , Edited by admin on Mon Mar 31 22:09:16 GMT 2025
PRIMARY
NCI_THESAURUS
C206888
Created by admin on Mon Mar 31 22:09:16 GMT 2025 , Edited by admin on Mon Mar 31 22:09:16 GMT 2025
PRIMARY
INN
13043
Created by admin on Mon Mar 31 22:09:16 GMT 2025 , Edited by admin on Mon Mar 31 22:09:16 GMT 2025
PRIMARY
FDA UNII
575OB1CKN0
Created by admin on Mon Mar 31 22:09:16 GMT 2025 , Edited by admin on Mon Mar 31 22:09:16 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY