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Details

Stereochemistry ACHIRAL
Molecular Formula C25H34N3O4S
Molecular Weight 472.62
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (2-HYDROXYETHOXY)ETHYL) QUETIAPINE ION

SMILES

OCCOCC[N+]1(CCOCCO)CCN(CC1)C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=ROEAJAZFQZLPHN-UHFFFAOYSA-N
InChI=1S/C25H34N3O4S/c29-15-19-31-17-13-28(14-18-32-20-16-30)11-9-27(10-12-28)25-21-5-1-3-7-23(21)33-24-8-4-2-6-22(24)26-25/h1-8,29-30H,9-20H2/q+1

HIDE SMILES / InChI

Molecular Formula C25H33N3O4S
Molecular Weight 471.612
Charge 0
Count
MOL RATIO 1 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
SR7R5H0EFW
Record Status Validated (UNII)
Record Version