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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21NO3.ClH
Molecular Weight 311.804
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLENEDIOXYPYROVALERONE HYDROCHLORIDE, (S)-

SMILES

Cl.CCC[C@H](N1CCCC1)C(=O)C2=CC=C3OCOC3=C2

InChI

InChIKey=PYQZNWFQAMFAMT-ZOWNYOTGSA-N
InChI=1S/C16H21NO3.ClH/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14;/h6-7,10,13H,2-5,8-9,11H2,1H3;1H/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H21NO3
Molecular Weight 275.3428
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
PB0117PV1U
Record Status Validated (UNII)
Record Version