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Olanzapine N-Oxide

CAT: 0931-T28231-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T28231-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
174794-02-6
Target
Drug Metabolite, Others
Related Pathways
Metabolism, Others
Purity
0.9821
Bioactivity
Olanzapine N-Oxide is a metabolite of Olanzapine which shows antipsychotic activity.
Smiles
Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Molecular Formula
C17H20N4OS
Molecular Weight
328.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Olanzapine-N-oxide
CAS Number174794-02-6
PubChem CID135409492
IUPAC Name2-methyl-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Molecular FormulaC17H20N4OS
Molecular Weight328.4
XLogP2.3
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity477
SMILES
CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CC[N+](CC4)(C)[O-]
InChI
InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
InChIKey
LJVNYCDXBXGQIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olanzapine-N-oxide
CAS: 174794-02-6
CID: 135409492
Formula: C17H20N4OS
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass328.13578245
Monoisotopic Mass328.13578245
Topological Polar Surface Area73.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5777924Olanzapine N-Oxide
CS-O-10446Olanzapine N oxide-d3
HY-119393SOlanzapine N-Oxide-d3
TRC-O253762-1MGOlanzapine-d3 N-Oxide
sc-219478Olanzapine-methyl-d3 N-Oxide
CS-O-05871N-Desmethyl Olanzapine
FD21007-01N-Demethyl olanzapine
CS-O-38909N-Nitroso Olanzapine
RM-O122651-01N-Nitroso-Olanzapine

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