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N-desmethyl Olanzapine

CAT: 0013-GTR19191910-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191910-01Size:1 mg
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Description
N-Desmethyl Olanzapine is the primary metabolite of the atypical antipsychotic Olanzapine, generated via CYP1A2-mediated oxidation. This metabolite is a key reference standard for pharmacological research, enabling in vitro and in vivo studies on olanzapine's metabolic profile, pharmacokinetics, and activity.
CAS Number
161696-76-0
Product Name Alternative
Drug Metabolite, DrugMetabolite, CYP1A2, 4'-Desmethylolanzapine, N-desmethyl Olanzapine
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.10% (May vary between batches)
Solubility
DMSO:PBS (pH 7.2) (1:4) :0.2 mg/mL (0.67 mM) ; DMF:30 mg/mL (100.53 mM) ; DMSO:30 mg/mL (100.53 mM) ; Ethanol:10 mg/mL (33.51 mM)
Smiles
Cc1cc2c (Nc3ccccc3N=C2N2CCNCC2) s1
Molecular Formula
C16H18N4S
Molecular Weight
298.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Desmethylolanzapine

4'-N-desmethylolanzapine is a benzodiazepine.

CAS Number161696-76-0
PubChem CID135446209
IUPAC Name2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
Molecular FormulaC16H18N4S
Molecular Weight298.4
XLogP2.4
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity407
SMILES
CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCNCC4
InChI
InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
InChIKey
FHPIXVHJEIZKJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethylolanzapine
CAS: 161696-76-0
CID: 135446209
Formula: C16H18N4S
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass298.12521776
Monoisotopic Mass298.12521776
Topological Polar Surface Area67.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity407
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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