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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19N3O2
Molecular Weight 273.3303
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL ZOLMITRIPTAN

SMILES

CNCCC1=CNC2=C1C=C(C[C@H]3COC(=O)N3)C=C2

InChI

InChIKey=QGGCHSMZXKNGCK-LBPRGKRZSA-N
InChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H19N3O2
Molecular Weight 273.3303
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
UP93V5RS6K
Record Status Validated (UNII)
Record Version