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Etoperidone-d8 Hydrochloride

CAT: 0024-sc-497423Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-497423Size:1 mg
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CAS Number
1329796-60-2

Chemical Information

Etoperidone-d8 Hydrochloride
CAS Number1329796-60-2
PubChem CID71316627
IUPAC Name2-[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 FormulaC19H29Cl2N5O
Molecular Weight422.4
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity506
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
2D structure of Etoperidone-d8 Hydrochloride
CAS: 1329796-60-2
CID: 71316627
Formula: C19H29Cl2N5O
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass421.2251299
Monoisotopic Mass421.2251299
Topological Polar Surface Area42.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity506
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-106617AS-01Etoperidone-d8 (hydrochloride)
011869Etoperidone-d8 Hydrochloride
011868Etoperidone Hydrochloride
HY-106617AEtoperidone (hydrochloride)
CS-C-01034Prochlorperazine-d8 Hydrochloride (piperazine-d8)
CS-O-40397Trifluoperazine-d8 Hydrochloride
CS-O-03392Bendamustine-d8 Hydrochloride
HY-B0615AS-01Moricizine-d8 (Hydrochloride)
HY-B0193AS-01Prazosin-d8 (hydrochloride)
HY-13463BS-01Avatrombopag-d8 (hydrochloride)

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