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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11N3O.ClH
Molecular Weight 237.685
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BL-3459

SMILES

Cl.CC1=C2CN3CC(=O)N=C3NC2=CC=C1

InChI

InChIKey=NJBNASBAWDGUHF-UHFFFAOYSA-N
InChI=1S/C11H11N3O.ClH/c1-7-3-2-4-9-8(7)5-14-6-10(15)13-11(14)12-9;/h2-4H,5-6H2,1H3,(H,12,13,15);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H11N3O
Molecular Weight 201.2245
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
305N8T0FZA
Record Status Validated (UNII)
Record Version