Azaperone-d4

CAT: 0926-YWB02172-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-YWB02172-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1173021-72-1

Smiles

C1CN (CCN1CCCC (=O) C2=CC=C (C=C2) F) C3=CC=CC=N3

Molecular Formula

C19H22FN3O

Molecular Weight

331.4 g/mol

Controlled

Chemical Information

Azaperone-d4

CAS Number	1173021-72-1
PubChem CID	71312466
IUPAC Name	4-(4-pyridin-2-ylpiperazin-1-yl)-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
Molecular Formula	C19H22FN3O
Molecular Weight	331.4
XLogP	3.3
Topological Polar Surface Area	36.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	390

SMILES

[2H]C1=C(C(=C(C(=C1C(=O)CCCN2CCN(CC2)C3=CC=CC=N3)[2H])[2H])F)[2H]

InChI

InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2/i6D,7D,8D,9D

InChIKey

XTKDAFGWCDAMPY-YKVCKAMESA-N

Chemical Structure

2D Structure

CAS: 1173021-72-1

CID: 71312466

Formula: C19H22FN3O

MW: 331.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.4
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	331.19979748
Monoisotopic Mass	331.19979748
Topological Polar Surface Area	36.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	390
Isotope Atom Count	4
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
HY-B1470S	Azaperone-d4
B1668-50	Azaperone