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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H16Cl3N5
Molecular Weight 372.68
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIPATRIGINE

SMILES

CN1CCN(CC1)C2=NC(N)=C(C=N2)C3=C(Cl)C(Cl)=CC(Cl)=C3

InChI

InChIKey=PDOCBJADCWMDGL-UHFFFAOYSA-N
InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
SIPATRIGINE
INN   WHO-DD  
INN  
Official Name English
619C89
Code English
Sipatrigine [WHO-DD]
Common Name English
619-C-89
Code English
sipatrigine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1509
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
Code System Code Type Description
EVMPD
SUB10535MIG
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
FDA UNII
OON9AVW1T3
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
PUBCHEM
60803
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
NCI_THESAURUS
C152367
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
CAS
130800-90-7
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
INN
7468
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
MESH
C081980
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID20156750
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL28854
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY
SMS_ID
100000083519
Created by admin on Fri Dec 15 18:20:10 UTC 2023 , Edited by admin on Fri Dec 15 18:20:10 UTC 2023
PRIMARY