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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H26N2O
Molecular Weight 286.4118
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AP-238

SMILES

CCC(=O)N1[C@@H](C)CN(C\C=C\C2=CC=CC=C2)C[C@H]1C

InChI

InChIKey=JELNWDOXWGBBLO-QJBCGIKSSA-N
InChI=1S/C18H26N2O/c1-4-18(21)20-15(2)13-19(14-16(20)3)12-8-11-17-9-6-5-7-10-17/h5-11,15-16H,4,12-14H2,1-3H3/b11-8+/t15-,16+

HIDE SMILES / InChI

Molecular Formula C18H26N2O
Molecular Weight 286.4118
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N26WML8AR7
Record Status Validated (UNII)
Record Version