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Details

Stereochemistry ACHIRAL
Molecular Formula C27H28Cl2N6O3.ClH
Molecular Weight 591.917
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3D-185

SMILES

Cl.COC1=CC(OC)=C(Cl)C(C2=NC3=C(C=C2)C(NC(=O)C4=CC=C(C=C4)N5CCNC(C)(C)C5)=NN3)=C1Cl

InChI

InChIKey=JJPRIOJLIKLSHO-UHFFFAOYSA-N
InChI=1S/C27H28Cl2N6O3.ClH/c1-27(2)14-35(12-11-30-27)16-7-5-15(6-8-16)26(36)32-25-17-9-10-18(31-24(17)33-34-25)21-22(28)19(37-3)13-20(38-4)23(21)29;/h5-10,13,30H,11-12,14H2,1-4H3,(H2,31,32,33,34,36);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H28Cl2N6O3
Molecular Weight 555.456
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 15:12:14 GMT 2023
Edited
by admin
on Sat Dec 16 15:12:14 GMT 2023
Record UNII
MU088RW4I5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3D-185
Common Name English
HH185
Code English
N-(6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(3,3-dimethylpiperazin-1-yl)benzamide hydrochloride
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 921122
Created by admin on Sat Dec 16 15:12:15 GMT 2023 , Edited by admin on Sat Dec 16 15:12:15 GMT 2023
FDA ORPHAN DRUG 904422
Created by admin on Sat Dec 16 15:12:15 GMT 2023 , Edited by admin on Sat Dec 16 15:12:15 GMT 2023
Code System Code Type Description
PUBCHEM
166177192
Created by admin on Sat Dec 16 15:12:15 GMT 2023 , Edited by admin on Sat Dec 16 15:12:15 GMT 2023
PRIMARY
FDA UNII
MU088RW4I5
Created by admin on Sat Dec 16 15:12:15 GMT 2023 , Edited by admin on Sat Dec 16 15:12:15 GMT 2023
PRIMARY
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