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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N6O
Molecular Weight 310.3543
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELGOCITINIB

SMILES

C[C@@]1([H])CN(C(=O)CC#N)[C@@]21CCN(C2)c3c4cc[nH]c4ncn3

InChI

InChIKey=LOWWYYZBZNSPDT-ZBEGNZNMSA-N
InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18N6O
Molecular Weight 310.3543
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:47:17 UTC 2021
Edited
by admin
on Sat Jun 26 08:47:17 UTC 2021
Record UNII
9L0Q8KK220
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELGOCITINIB
INN   USAN  
Official Name English
1,6-DIAZASPIRO(3.4)OCTANE-1-PROPANENITRILE, 3-METHYL-.BETA.-OXO-6-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (3S,4R)-
Systematic Name English
DELGOCITINIB [USAN]
Common Name English
JTE-052
Code English
DELGOCITINIB [WHO-DD]
Common Name English
3-((3S,4R)-3-METHYL-6-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-1,6-DIAZASPIRO(3.4)OCTAN-1-YL)-3-OXOPROPANENITRILE
Systematic Name English
LEO-124249
Code English
JTE-052A
Code English
DELGOCITINIB [INN]
Common Name English
LEO-124249A
Code English
Code System Code Type Description
INN
10574
Created by admin on Sat Jun 26 08:47:17 UTC 2021 , Edited by admin on Sat Jun 26 08:47:17 UTC 2021
PRIMARY
FDA UNII
9L0Q8KK220
Created by admin on Sat Jun 26 08:47:17 UTC 2021 , Edited by admin on Sat Jun 26 08:47:17 UTC 2021
PRIMARY
CAS
1263774-59-9
Created by admin on Sat Jun 26 08:47:17 UTC 2021 , Edited by admin on Sat Jun 26 08:47:17 UTC 2021
PRIMARY
NCI_THESAURUS
C171928
Created by admin on Sat Jun 26 08:47:17 UTC 2021 , Edited by admin on Sat Jun 26 08:47:17 UTC 2021
PRIMARY
PUBCHEM
50914062
Created by admin on Sat Jun 26 08:47:17 UTC 2021 , Edited by admin on Sat Jun 26 08:47:17 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY