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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H13NO3.C4H6O6
Molecular Weight 297.2592
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFEGOSTAT TARTRATE

SMILES

OC[C@H]1CNC[C@@H](O)[C@@H]1O.O[C@H]([C@@H](O)C(O)=O)C(O)=O

InChI

InChIKey=ULBPPCHRAVUQMC-MUMXBIPUSA-N
InChI=1S/C6H13NO3.C4H6O6/c8-3-4-1-7-2-5(9)6(4)10;5-1(3(7)8)2(6)4(9)10/h4-10H,1-3H2;1-2,5-6H,(H,7,8)(H,9,10)/t4-,5-,6-;1-,2-/m11/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H13NO3
Molecular Weight 147.1723
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
285ZJJ9773
Record Status Validated (UNII)
Record Version