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Details

Stereochemistry ACHIRAL
Molecular Formula C29H32N8O.ClH
Molecular Weight 545.078
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDRX-42 HYDROCHLORIDE

SMILES

Cl.CN1C=C(C=N1)C2=CC=C(CNC3=CC(=NC=N3)C4=CN=C5C=C(OCCCN6CCCC6)C=CN45)C=C2

InChI

InChIKey=ZEWBDKDYDWAJAT-UHFFFAOYSA-N
InChI=1S/C29H32N8O.ClH/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36;/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33);1H

HIDE SMILES / InChI

Molecular Formula C29H32N8O
Molecular Weight 508.6174
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
AE9XK4U45L
Record Status Validated (UNII)
Record Version