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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12N2O3
Molecular Weight 219.2253
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXITRIPTAN C-11

SMILES

N[C@@H]([11CH2]C1=CNC2=CC=C(O)C=C12)C(O)=O

InChI

InChIKey=LDCYZAJDBXYCGN-VCRBTUQTSA-N
InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i3-1

HIDE SMILES / InChI

Molecular Formula C11H12N2O3
Molecular Weight 219.2253
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
8A8TM3K6HF
Record Status Validated (UNII)
Record Version