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Details

Stereochemistry ACHIRAL
Molecular Formula C20H16Cl2N8O2
Molecular Weight 471.299
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHIR-98023

SMILES

[O-][N+](=O)C1=CN=C(NCCNC2=NC=C(C3=NC=CN3)C(=N2)C4=CC=C(Cl)C=C4Cl)C=C1

InChI

InChIKey=GUMBZKISKUIHJB-UHFFFAOYSA-N
InChI=1S/C20H16Cl2N8O2/c21-12-1-3-14(16(22)9-12)18-15(19-24-6-7-25-19)11-28-20(29-18)26-8-5-23-17-4-2-13(10-27-17)30(31)32/h1-4,6-7,9-11H,5,8H2,(H,23,27)(H,24,25)(H,26,28,29)

HIDE SMILES / InChI

Molecular Formula C20H16Cl2N8O2
Molecular Weight 471.299
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:24:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:53 GMT 2023
Record UNII
CMQ1L0E91Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHIR-98023
Common Name English
CT-98023
Code English
1,2-ETHANEDIAMINE, N-(4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-2-YL)-2-PYRIMIDINYL)-N'-(5-NITRO-2-PYRIDINYL)-
Systematic Name English
1,2-ETHANEDIAMINE, N1-(4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-2-YL)-2-PYRIMIDINYL)-N2-(5-NITRO-2-PYRIDINYL)-
Systematic Name English
CHIR-837
Code English
Code System Code Type Description
PUBCHEM
9847557
Created by admin on Sat Dec 16 08:24:53 GMT 2023 , Edited by admin on Sat Dec 16 08:24:53 GMT 2023
PRIMARY
CAS
616242-24-1
Created by admin on Sat Dec 16 08:24:53 GMT 2023 , Edited by admin on Sat Dec 16 08:24:53 GMT 2023
SUPERSEDED
CAS
252916-76-0
Created by admin on Sat Dec 16 08:24:53 GMT 2023 , Edited by admin on Sat Dec 16 08:24:53 GMT 2023
PRIMARY
FDA UNII
CMQ1L0E91Y
Created by admin on Sat Dec 16 08:24:53 GMT 2023 , Edited by admin on Sat Dec 16 08:24:53 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY