N-desmethyl Olanzapine

CAT: 0931-T35716-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T35716-01Size:1 mg

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CAS Number

161696-76-0

Target

Others, Drug Metabolite, Endogenous Metabolite, Cytochromes P450

Related Pathways

Others, Metabolism

Purity

0.9967

Bioactivity

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.

Smiles

Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1

Molecular Formula

C16H18N4S

Molecular Weight

298.41

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Desmethylolanzapine

4'-N-desmethylolanzapine is a benzodiazepine.

CAS Number	161696-76-0
PubChem CID	135446209
IUPAC Name	2-methyl-4-piperazin-1-yl-10H-thieno[2,3-b][1,5]benzodiazepine
Molecular Formula	C16H18N4S
Molecular Weight	298.4
XLogP	2.4
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	407

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

CAS: 161696-76-0

CID: 135446209

Formula: C16H18N4S

MW: 298.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	298.4
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	298.12521776
Monoisotopic Mass	298.12521776
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	407
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
CS-O-05871	N-Desmethyl Olanzapine
RM-O122608-01	Olanzapine N-Desmethyl Metabolite
AR-O08975-01	N-Desmethyl Olanzapine-d8
TRC-D291675-100MG	N-Desmethyl N-Ethyl Olanzapine
AR-O08907-01	N-Nitroso N-Desmethyl Olanzapine
CS-O-39660	N-Desmethyl N-Nitroso Olanzapine
CS-O-44692	N-Desmethyl N-Nitroso Olanzapine impurity 2
AR-O08908-01	N-Nitroso N-Desmethyl Olanzapine impurity 2
FD21007-01	N-Demethyl olanzapine
MBS5777924	Olanzapine N-Oxide

N-desmethyl Olanzapine

Chemical Information

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