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Details

Stereochemistry ACHIRAL
Molecular Formula C17H21NO.H2O4S
Molecular Weight 353.433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLTOLOXAMINE BISULFATE

SMILES

OS(O)(=O)=O.CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChIKey=VZOJBSZQSXEYMG-UHFFFAOYSA-N
InChI=1S/C17H21NO.H2O4S/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;1-5(2,3)4/h3-11H,12-14H2,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
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 C17H21NO
Molecular Weight 255.3547
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

Approval Year

Substance Class Chemical
Record UNII
407TU1DJUP
Record Status Validated (UNII)
Record Version