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

Details

Stereochemistry MIXED
Molecular Formula C24H28N2O4
Molecular Weight 408.4901
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2(1H)-QUINOLINONE, 5-((1R)-2-((5-ETHYL-2,3-DIHYDRO-6-(1-HYDROXYETHYL)-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-8-HYDROXY-

SMILES

CCC1=CC2=C(CC(C2)NC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C1C(C)O

InChI

InChIKey=DHOVNAABCPYSTQ-HDAPZSGNSA-N
InChI=1S/C24H28N2O4/c1-3-14-8-15-9-17(10-16(15)11-20(14)13(2)27)25-12-22(29)18-4-6-21(28)24-19(18)5-7-23(30)26-24/h4-8,11,13,17,22,25,27-29H,3,9-10,12H2,1-2H3,(H,26,30)/t13?,17?,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H28N2O4
Molecular Weight 408.4901
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7WYL829GM7
Record Status Validated (UNII)
Record Version