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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H21ClN4O5
Molecular Weight 420.847
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEFYLLINE CLOFIBROL

SMILES

CN1C2=C(N(CC(=O)OCC(C)(C)OC3=CC=C(Cl)C=C3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=ICVMNUSJJHSLLM-UHFFFAOYSA-N
InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)10-28-14(25)9-24-11-21-16-15(24)17(26)23(4)18(27)22(16)3/h5-8,11H,9-10H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C19H21ClN4O5
Molecular Weight 420.847
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
WY672D78VW
Record Status Validated (UNII)
Record Version