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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19NO2
Molecular Weight 221.2955
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDPR, (S)-

SMILES

CCCN[C@@H](C)CC1=CC=C2OCOC2=C1

InChI

InChIKey=LBXMQBTXOLBCCA-JTQLQIEISA-N
InChI=1S/C13H19NO2/c1-3-6-14-10(2)7-11-4-5-12-13(8-11)16-9-15-12/h4-5,8,10,14H,3,6-7,9H2,1-2H3/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H19NO2
Molecular Weight 221.2955
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
N6NL5H3PGV
Record Status Validated (UNII)
Record Version