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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO2
Molecular Weight 259.3434
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROPARIL, (±)-

SMILES

COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1C3=CC=CC=C3)N2C

InChI

InChIKey=OMBOXYLBBHNWHL-CBBWQLFWSA-N
InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H21NO2
Molecular Weight 259.3434
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
11M96D7J17
Record Status Validated (UNII)
Record Version