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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27ClO5
Molecular Weight 394.889
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RALANITEN

SMILES

CC(C)(C1=CC=C(OC[C@H](O)CO)C=C1)C2=CC=C(OC[C@H](O)CCl)C=C2

InChI

InChIKey=HDTYUHNZRYZEEB-QZTJIDSGSA-N
InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H27ClO5
Molecular Weight 394.889
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

Targets

Primary TargetPharmacologyConditionPotency
6.0 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
WC830G6O4X
Record Status Validated (UNII)
Record Version