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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O2
Molecular Weight 270.3263
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENNICLAVINE

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)C1=C[C@@](O)(CO)CN2C

InChI

InChIKey=KCHBNRCSCHMJFD-ZBFHGGJFSA-N
InChI=1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/t14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2O2
Molecular Weight 270.3263
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
28Z5OY3SFA
Record Status Validated (UNII)
Record Version