U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30ClN3O2
Molecular Weight 415.956
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DSP-0390

SMILES

CC1(C)OC2=CC(Cl)=CC=C2[C@@H]3OCC4(CCN(CCN5C=CN=C5)CC4)C[C@@H]13

InChI

InChIKey=QKAZUVQTHFXMLS-CTNGQTDRSA-N
InChI=1S/C23H30ClN3O2/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-4-3-17(24)13-20(18)29-22/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3/t19-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H30ClN3O2
Molecular Weight 415.956
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RB55ZW48XG
Record Status Validated (UNII)
Record Version