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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H33N3O2.C4H6O6
Molecular Weight 509.5925
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPTASTIGMINE TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12N(C)CC[C@@]1(C)C3=CC(OC(=O)NCCCCCCC)=CC=C3N2C

InChI

InChIKey=KSVOUNWEPRJFHX-BNBZVHDBSA-N
InChI=1S/C21H33N3O2.C4H6O6/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4;5-1(3(7)8)2(6)4(9)10/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25);1-2,5-6H,(H,7,8)(H,9,10)/t19-,21+;1-,2-/m11/s1

HIDE SMILES / InChI

Molecular Formula C21H33N3O2
Molecular Weight 359.5056
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 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

Approval Year

Substance Class Chemical
Record UNII
B1MOV3VK98
Record Status Validated (UNII)
Record Version