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

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=NC2=CC(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)N4C=CC5=C(N)N=CN=C45)=CC=C2C=C1Br

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

Approval Year

Name Type Language
ONAMETOSTAT
INN  
Official Name English
Onametostat [WHO-DD]
Common Name English
JNJ64619178
Code English
JNJ-64619178
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 Sat Dec 16 14:07:19 GMT 2023 , Edited by admin on Sat Dec 16 14:07:19 GMT 2023
PRIMARY
INN
11288
Created by admin on Sat Dec 16 14:07:19 GMT 2023 , Edited by admin on Sat Dec 16 14:07:19 GMT 2023
PRIMARY
CAS
2086772-26-9
Created by admin on Sat Dec 16 14:07:19 GMT 2023 , Edited by admin on Sat Dec 16 14:07:19 GMT 2023
PRIMARY
NCI_THESAURUS
C163980
Created by admin on Sat Dec 16 14:07:19 GMT 2023 , Edited by admin on Sat Dec 16 14:07:19 GMT 2023
PRIMARY
SMS_ID
300000027515
Created by admin on Sat Dec 16 14:07:19 GMT 2023 , Edited by admin on Sat Dec 16 14:07:19 GMT 2023
PRIMARY
PUBCHEM
126637809
Created by admin on Sat Dec 16 14:07:19 GMT 2023 , Edited by admin on Sat Dec 16 14:07:19 GMT 2023
PRIMARY