CLOZAPINE N-OXIDE

CAT: 0127-BUP15388-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15388-01Size:5 mg

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CAS Number

34233-69-7

Purity

=98%

Smiles

CN1(=O)CCN(C=2C=3C(NC=4C(N2)=CC(Cl)=CC4)=CC=CC3)CC1

Chemical Information

clozapine N-oxide

Clozapine N-oxide is a dibenzodiazepine.

CAS Number	34233-69-7
PubChem CID	135445691
IUPAC Name	3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular Formula	C18H19ClN4O
Molecular Weight	342.8
XLogP	2.5
Topological Polar Surface Area	45.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	491

SMILES

C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-]

InChI

InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3

InChIKey

OGUCZBIQSYYWEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34233-69-7

CID: 135445691

Formula: C18H19ClN4O

MW: 342.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.8
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	342.1247389
Monoisotopic Mass	342.1247389
Topological Polar Surface Area	45.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	491
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

Catalog	Name
OR1030170-01	Clozapine
BUP15703-01	Clozapine
BUP04078-01	Clozapine Analogues
DE2201	Clozapine-d8
OR1078656-01	N-Diphenylmethanimine N-Oxide
BID6003-01	N, N-Dimethyldodecylamine N-oxide
BUP07466-01	Levofloxacin N-oxide
BUP02786-01	Olanzapine N-Oxide
OR29784-01	Nicotinonitrile N-oxide
BUP00331-01	Monocrotaline N-Oxide

Catalog	Name
M18447-01	CLOZAPINE N-OXIDE