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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H23N3O.2ClH
Molecular Weight 334.285
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECARBONYL ZOLMITRIPTAN DIHYDROCHLORIDE

SMILES

Cl.Cl.CN(C)CCC1=CNC2=C1C=C(C[C@H](N)CO)C=C2

InChI

InChIKey=OGAWTCZKHGHOOU-GXKRWWSZSA-N
InChI=1S/C15H23N3O.2ClH/c1-18(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13(16)10-19;;/h3-4,8-9,13,17,19H,5-7,10,16H2,1-2H3;2*1H/t13-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C15H23N3O
Molecular Weight 261.3626
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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
6R4165RU64
Record Status Validated (UNII)
Record Version