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Metoclopramide-d3

CAT: 0572-TRC-M338687-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338687-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216522-89-2
Synonyms
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(methoxy-d3)benzamide; 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-o-anisamide-d3; 2-(Methoxy-d3)-5-chloroprocainamide; Clopromate-d3; DEL 1267-d3; Draclamid-d3; Emperal-d3; Eucil-d3; Gastrese-d3; Gastrobid-d3; Gastromax-d3; Gastrosil-d3; Gastrotem-d3; Maxeran-d3; Meclopran-d3; Metamide-d3; Reliveran-d3
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC
Molecular Formula
C14 D3 H19 Cl N3 O2
Molecular Weight
302.8149
InChI
InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/i3D3
Additionnal Information
IUPAC name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(trideuteriomethoxy)benzamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-((~2~H_3_)methyloxy)benzamide
CAS Number1216522-89-2
PubChem CID12598248
IUPAC Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(trideuteriomethoxy)benzamide
Molecular FormulaC14H22ClN3O2
Molecular Weight302.81
XLogP2.6
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity300
SMILES
[2H]C([2H])([2H])OC1=CC(=C(C=C1C(=O)NCCN(CC)CC)Cl)N
InChI
InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)/i3D3
InChIKey
TTWJBBZEZQICBI-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-((~2~H_3_)methyloxy)benzamide
CAS: 1216522-89-2
CID: 12598248
Formula: C14H22ClN3O2
MW: 302.81
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.81
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass302.1588849
Monoisotopic Mass302.1588849
Topological Polar Surface Area67.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity300
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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