U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ACHIRAL
Molecular Formula C28H32N6O4
Molecular Weight 516.5915
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENCEQUIDAR, DES(CHROMOCARB)-

SMILES

COC1=CC2=C(CN(CCC3=CC=C(C=C3)N4N=NC(=N4)C5=CC(OC)=C(OC)C=C5N)CC2)C=C1OC

InChI

InChIKey=AXPBUYJDGMRABC-UHFFFAOYSA-N
InChI=1S/C28H32N6O4/c1-35-24-13-19-10-12-33(17-20(19)14-25(24)36-2)11-9-18-5-7-21(8-6-18)34-31-28(30-32-34)22-15-26(37-3)27(38-4)16-23(22)29/h5-8,13-16H,9-12,17,29H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C28H32N6O4
Molecular Weight 516.5915
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
HV9AT0XM6D
Record Status Validated (UNII)
Record Version