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Details

Stereochemistry RACEMIC
Molecular Formula C8H13NO2
Molecular Weight 155.1943
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLINE

SMILES

CN1[C@@H]2C[C@@H]3C[C@H]1[C@H](O)[C@H]2O3

InChI

InChIKey=MEGPURSNXMUDAE-RLMOJYMMSA-N
InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H13NO2
Molecular Weight 155.1943
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Substance Class Chemical
Record UNII
UGW80D8GKZ
Record Status Validated (UNII)
Record Version