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Details

Stereochemistry ACHIRAL
Molecular Formula C16H27Cl2N5.3ClH
Molecular Weight 469.708
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMD-3451

SMILES

Cl.Cl.Cl.ClC1=CC(CN2CCCNCCNCCCNCC2)=CC(Cl)=N1

InChI

InChIKey=VMPSPJAKJZDOSU-UHFFFAOYSA-N
InChI=1S/C16H27Cl2N5.3ClH/c17-15-11-14(12-16(18)22-15)13-23-9-2-5-20-7-6-19-3-1-4-21-8-10-23;;;/h11-12,19-21H,1-10,13H2;3*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H27Cl2N5
Molecular Weight 360.325
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

Substance Class Chemical
Record UNII
114DYQ7R16
Record Status Validated (UNII)
Record Version