Olanzapine-d3 N-oxide

CAT: 0926-PXB73275-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-PXB73275-01Size:5 mg

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CAS Number

1189732-75-9

Smiles

CC1=CC2=C (S1) NC3=CC=CC=C3N=C2N4CC[N+] (CC4) (C) [O-]

Molecular Formula

C17H20N4OS

Molecular Weight

331.5 g/mol

Controlled

Chemical Information

Olanzapine-d3 N-Oxide

CAS Number	1189732-75-9
PubChem CID	136234049
IUPAC Name	2-methyl-4-[4-oxido-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine
Molecular Formula	C17H20N4OS
Molecular Weight	331.5
XLogP	2.3
Topological Polar Surface Area	73.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	477

SMILES

[2H]C([2H])([2H])[N+]1(CCN(CC1)C2=NC3=CC=CC=C3NC4=C2C=C(S4)C)[O-]

InChI

InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3/i2D3

InChIKey

LJVNYCDXBXGQIK-BMSJAHLVSA-N

Chemical Structure

2D Structure

CAS: 1189732-75-9

CID: 136234049

Formula: C17H20N4OS

MW: 331.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.5
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	331.15461269
Monoisotopic Mass	331.15461269
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	477
Isotope Atom Count	3
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
IO106348-01	Olanzapine N-oxide
LGB68679-01	Olanzapine d3
LAC08031-01	Morphine-d3 N-oxide
FD21007-01	N-Demethyl olanzapine
FEC03454	N-Desmethyl N-ethyl olanzapine
FO26537-01	Olanzapine
FA17460-01	Olanzapine hydrochloride
IO26538-01	Olanzapine ketolactam
FH24394-01	2-Hydroxymethyl olanzapine
IO26541-01	Olanzapine thiolactam impurity

Catalog	Name
CS-O-10446	Olanzapine N oxide-d3
HY-119393S	Olanzapine N-Oxide-d3
TRC-O253762-1MG	Olanzapine-d3 N-Oxide
sc-219478	Olanzapine-methyl-d3 N-Oxide
MBS5777924	Olanzapine N-Oxide
TRC-D230973-25MG	N-Demethyl Olanzapine-d3
TRC-C369392-10MG	N-Chloromethyl Olanzapine-d3 Chloride
CS-O-60999	Trimethylamine N-Oxide-d3
CS-O-10713	Regorafenib N-Oxide-d3
CS-T-97473	Heliotrine N-Oxide-D3