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Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO6S
Molecular Weight 319.374
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALBUTEROL-4-SULFATE, (±)-

SMILES

CC(C)(C)NCC(O)C1=CC=C(OS(O)(=O)=O)C(CO)=C1

InChI

InChIKey=FPMLHYFHLRTRMB-UHFFFAOYSA-N
InChI=1S/C13H21NO6S/c1-13(2,3)14-7-11(16)9-4-5-12(10(6-9)8-15)20-21(17,18)19/h4-6,11,14-16H,7-8H2,1-3H3,(H,17,18,19)

HIDE SMILES / InChI

Molecular Formula C13H21NO6S
Molecular Weight 319.374
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
2CX9CN85QM
Record Status Validated (UNII)
Record Version