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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30ClN5O2
Molecular Weight 504.023
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCEDURENONE

SMILES

[H][C@]12CCC3=C(C=CC(=N3)C(=O)N4CCC(O)CC4)C1=NN([C@H]2C5CCCC5)C6=CC=C(C#N)C(Cl)=C6

InChI

InChIKey=UXHQLGLGLZKHTC-CUNXSJBXSA-N
InChI=1S/C28H30ClN5O2/c29-23-15-19(6-5-18(23)16-30)34-27(17-3-1-2-4-17)22-8-9-24-21(26(22)32-34)7-10-25(31-24)28(36)33-13-11-20(35)12-14-33/h5-7,10,15,17,20,22,27,35H,1-4,8-9,11-14H2/t22-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30ClN5O2
Molecular Weight 504.023
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
L46509378R
Record Status Validated (UNII)
Record Version