U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32N6O5
Molecular Weight 556.6123
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CECLAZEPIDE

SMILES

CNC1=CC(NC(=O)N[C@@H]2N=C(C3=NC=CC=C3)C4=CC=CC=C4N(CC(=O)C(C)(C)COC(C)=O)C2=O)=CC=C1

InChI

InChIKey=GPEYTRIZYSZRRK-MHZLTWQESA-N
InChI=1S/C30H32N6O5/c1-19(37)41-18-30(2,3)25(38)17-36-24-14-6-5-12-22(24)26(23-13-7-8-15-32-23)34-27(28(36)39)35-29(40)33-21-11-9-10-20(16-21)31-4/h5-16,27,31H,17-18H2,1-4H3,(H2,33,35,40)/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H32N6O5
Molecular Weight 556.6123
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 Tue Apr 01 20:06:02 GMT 2025
Edited
by admin
on Tue Apr 01 20:06:02 GMT 2025
Record UNII
99B5ZR9276
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CECLAZEPIDE
INN  
INN  
Official Name English
ceclazepide [INN]
Preferred Name English
TR-2A
Code English
TR2-A
Code English
(R)-1-(1-(4-ACETOXY-3,3-DIMETHYL-2-OXO-BUTYL)-2-OXO-5-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-BENZO(E)(1,4)DIAZEPIN-3-YL)-3-(3-METHYLAMINO-PHENYL)-UREA
Systematic Name English
Ceclazepide [WHO-DD]
Common Name English
UREA, N-((3R)-1-(4-(ACETYLOXY)-3,3-DIMETHYL-2-OXOBUTYL)-2,3-DIHYDRO-2-OXO-5-(2-PYRIDINYL)-1H-1,4-BENZODIAZEPIN-3-YL)-N'-(3-(METHYLAMINO)PHENYL)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 520116
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
EU-Orphan Drug EU/3/15/1588
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
Code System Code Type Description
NCI_THESAURUS
C171744
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
PRIMARY
PUBCHEM
100951591
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
PRIMARY
SMS_ID
100000181304
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
PRIMARY
FDA UNII
99B5ZR9276
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
PRIMARY
INN
10411
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
PRIMARY
CAS
1801749-44-9
Created by admin on Tue Apr 01 20:06:02 GMT 2025 , Edited by admin on Tue Apr 01 20:06:02 GMT 2025
PRIMARY
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