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Details

Stereochemistry ACHIRAL
Molecular Formula C38H36N6O7.ClH
Molecular Weight 725.189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENCEQUIDAR HYDROCHLORIDE

SMILES

Cl.COC1=CC2=C(CN(CCC3=CC=C(C=C3)N4N=NC(=N4)C5=CC(OC)=C(OC)C=C5NC(=O)C6=CC(=O)C7=C(O6)C=CC=C7)CC2)C=C1OC

InChI

InChIKey=KAQQJKZDBBMBEZ-UHFFFAOYSA-N
InChI=1S/C38H36N6O7.ClH/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36;/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46);1H

HIDE SMILES / InChI

Molecular Formula C38H36N6O7
Molecular Weight 688.7284
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 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

Approval Year

Substance Class Chemical
Record UNII
2B3W09JOZR
Record Status Validated (UNII)
Record Version