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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23BrN6O2
Molecular Weight 483.361
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONAMETOSTAT

SMILES

NC1=C2C=CN([C@@H]3C[C@H](CCC4=CC5=NC(N)=C(Br)C=C5C=C4)[C@@H](O)[C@H]3O)C2=NC=N1

InChI

InChIKey=DBSMLQTUDJVICQ-CJODITQLSA-N
InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H23BrN6O2
Molecular Weight 483.361
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 22:17:01 GMT 2025
Edited
by admin
on Tue Apr 01 22:17:01 GMT 2025
Record UNII
N8VKI8FPW0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-64619178
Preferred Name English
ONAMETOSTAT
INN  
Official Name English
Onametostat [WHO-DD]
Common Name English
JNJ64619178
Code English
(1S,2R,3S,5R)-3-(2-(2-AMINO-3-BROMOQUINOLIN-7-YL)ETHYL)-5-(4-AMINO-7H-PYRROLO(2,3-D)PYRIMIDIN-7-YL)CYCLOPENTANE-1,2-DIOL
Systematic Name English
onametostat [INN]
Common Name English
1,2-CYCLOPENTANEDIOL, 3-(2-(2-AMINO-3-BROMO-7-QUINOLINYL)ETHYL)-5-(4-AMINO-7H-PYRROLO(2,3-D)PYRIMIDIN-7-YL)-, (1S,2R,3S,5R)-
Systematic Name English
Code System Code Type Description
FDA UNII
N8VKI8FPW0
Created by admin on Tue Apr 01 22:17:01 GMT 2025 , Edited by admin on Tue Apr 01 22:17:01 GMT 2025
PRIMARY
INN
11288
Created by admin on Tue Apr 01 22:17:01 GMT 2025 , Edited by admin on Tue Apr 01 22:17:01 GMT 2025
PRIMARY
CAS
2086772-26-9
Created by admin on Tue Apr 01 22:17:01 GMT 2025 , Edited by admin on Tue Apr 01 22:17:01 GMT 2025
PRIMARY
NCI_THESAURUS
C163980
Created by admin on Tue Apr 01 22:17:01 GMT 2025 , Edited by admin on Tue Apr 01 22:17:01 GMT 2025
PRIMARY
SMS_ID
300000027515
Created by admin on Tue Apr 01 22:17:01 GMT 2025 , Edited by admin on Tue Apr 01 22:17:01 GMT 2025
PRIMARY
PUBCHEM
126637809
Created by admin on Tue Apr 01 22:17:01 GMT 2025 , Edited by admin on Tue Apr 01 22:17:01 GMT 2025
PRIMARY
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