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N-desmethyl Olanzapine

CAT: 1410-M34784-01Size: 1 EachDry Ice: NoHazardous: No
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Description
N-desmethyl Olanzapine is a metabolite of the atypical antipsychotic compound Olanzapinec, which is formed through the oxidative metabolism of olanzapine by the cytochrome 450 (CYP) isoenzyme CYP1A2.
CAS Number
161696-76-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
298.41
Molecular Formula
C16H18N4S
Notes
Research use only, not for human use.
Receptor
P450 | Drug Metabolite

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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Alternative Products

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CS-O-05871N-Desmethyl Olanzapine
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AR-O08907-01N-Nitroso N-Desmethyl Olanzapine
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CS-O-44692N-Desmethyl N-Nitroso Olanzapine impurity 2
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