Etoperidone-d8 Hydrochloride

CAT: 0572-TRC-E933682-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-E933682-10MGSize:10 mg

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CAS Number

1329796-60-2

Synonyms

2-[3-[4-(3-Chlorophenyl)-1-(piperazinyl-d8)]propyl]-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one Hydrochloride; AF 1191-d8; Axiomin-d8; Deprecer-d8; Etonin-d8; Etoran-d8; McN-A 2673-11-d8; ST 1191-d8; Staff-d8; Tropene-d8;

Hazard Statement

No Data Available

Smiles

Cl.[2H]C1([2H])N(CCCN2N=C(CC)N(CC)C2=O)C([2H])([2H])C([2H])([2H])N(c3cccc(Cl)c3)C1([2H])[2H]

Molecular Formula

C19H21D8Cl2N5O

Molecular Weight

422.42

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Etoperidone-d8 Hydrochloride

CAS Number	1329796-60-2
PubChem CID	71316627
IUPAC Name	2-[3-[4-(3-chlorophenyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one;hydrochloride
Molecular Formula	C19H29Cl2N5O
Molecular Weight	422.4
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	506

SMILES

[2H]C1(C(N(C(C(N1CCCN2C(=O)N(C(=N2)CC)CC)([2H])[2H])([2H])[2H])C3=CC(=CC=C3)Cl)([2H])[2H])[2H].Cl

InChI

InChI=1S/C19H28ClN5O.ClH/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17;/h5,7-8,15H,3-4,6,9-14H2,1-2H3;1H/i11D2,12D2,13D2,14D2;

InChIKey

BHKPQZVLIZKSAG-USILMEKGSA-N

Chemical Structure

2D Structure

CAS: 1329796-60-2

CID: 71316627

Formula: C19H29Cl2N5O

MW: 422.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	422.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	421.2251299
Monoisotopic Mass	421.2251299
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	506
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-106617AS-01	Etoperidone-d8 (hydrochloride)
011869	Etoperidone-d8 Hydrochloride
011868	Etoperidone Hydrochloride
HY-106617A	Etoperidone (hydrochloride)
CS-C-01034	Prochlorperazine-d8 Hydrochloride (piperazine-d8)
CS-O-40397	Trifluoperazine-d8 Hydrochloride
CS-O-03392	Bendamustine-d8 Hydrochloride
HY-B0615AS-01	Moricizine-d8 (Hydrochloride)
HY-13342S	Apatinib-d8 (hydrochloride)
HY-13463BS-01	Avatrombopag-d8 (hydrochloride)

Etoperidone-d8 Hydrochloride

Chemical Information

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