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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21N3O3
Molecular Weight 303.3562
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZOLMITRIPTAN N-OXIDE

SMILES

C[N+](C)([O-])CCC1=CNC2=C1C=C(C[C@H]3COC(=O)N3)C=C2

InChI

InChIKey=GZYCQRZFJIZOKU-ZDUSSCGKSA-N
InChI=1S/C16H21N3O3/c1-19(2,21)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-22-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H21N3O3
Molecular Weight 303.3562
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
22Y9Y8XC4U
Record Status Validated (UNII)
Record Version