Clozapine-d8

CAT: 0024-sc-217944ASize: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-217944ASize:10 mg

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CAS Number

1185053-50-2

Chemical Information

Clozapine-d8

CAS Number	1185053-50-2
PubChem CID	135858214
IUPAC Name	3-chloro-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular Formula	C18H19ClN4
Molecular Weight	334.9
XLogP	3.1
Topological Polar Surface Area	30.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	446

SMILES

[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)([2H])[2H])[2H]

InChI

InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)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/i8D2,9D2,10D2,11D2

InChIKey

QZUDBNBUXVUHMW-JNJBWJDISA-N

Chemical Structure

2D Structure

CAS: 1185053-50-2

CID: 135858214

Formula: C18H19ClN4

MW: 334.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.9
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	334.1800383
Monoisotopic Mass	334.1800383
Topological Polar Surface Area	30.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	446
Isotope Atom Count	8
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
sc-200402	Clozapine
sc-200402A	Clozapine
sc-391002	Clozapine N-oxide
sc-391002B	Clozapine N-oxide
sc-391002-CW	Clozapine N-oxide
sc-391002A	Clozapine N-oxide
sc-207302	Aripiprazole-d8 (Butyl-d8)
sc-201111	Clozapine N-oxide Methanol Adduct
sc-201111A	Clozapine N-oxide Methanol Adduct
sc-495727	Gleevec-d8 Mesylate (Imatinib-d8 Mesylate)

Catalog	Name
SL1037-1	Clozapine-d8
444924	Clozapine N-Oxide-d8
RM-C261620-01	N-Desmethyl Clozapine-d8
TMIH-0376-01	N-Desmethyl clozapine-d8 Hydrochloride
HY-142592S-01	Clozapine EP impurity D-d8
AR-C08182-01	Clozapine EP Impurity C-d8
AR-C08192-01	N-Nitroso Clozapine EP Impurity C-d8
0444/500	Clozapine