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Details

Stereochemistry RACEMIC
Molecular Formula C17H16ClNO3
Molecular Weight 317.767
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 10,11-DIHYDROXYASENAPINE

SMILES

[H][C@]12CN(C)C[C@]1([H])C3=C(OC4=CC=C(Cl)C=C24)C=C(O)C(O)=C3

InChI

InChIKey=BQEXZIIBOVTZLH-CHWSQXEVSA-N
InChI=1S/C17H16ClNO3/c1-19-7-12-10-4-9(18)2-3-16(10)22-17-6-15(21)14(20)5-11(17)13(12)8-19/h2-6,12-13,20-21H,7-8H2,1H3/t12-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16ClNO3
Molecular Weight 317.767
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
73L031QSL2
Record Status Validated (UNII)
Record Version