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

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 Sat Dec 16 13:00:47 GMT 2023
Edited
by admin
on Sat Dec 16 13:00:47 GMT 2023
Record UNII
99B5ZR9276
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CECLAZEPIDE
INN  
INN  
Official 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
ceclazepide [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 520116
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
EU-Orphan Drug EU/3/15/1588
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C171744
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
PRIMARY
PUBCHEM
100951591
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
PRIMARY
SMS_ID
100000181304
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
PRIMARY
FDA UNII
99B5ZR9276
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
PRIMARY
INN
10411
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
PRIMARY
CAS
1801749-44-9
Created by admin on Sat Dec 16 13:00:47 GMT 2023 , Edited by admin on Sat Dec 16 13:00:47 GMT 2023
PRIMARY
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ANTAGONIST
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