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Metoclopramide N-Oxide

CAT: 0572-TRC-M338695-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338695-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171367-22-9
Synonyms
N'-(4-Amino-5-chloro-2-methoxybenzoyl)-N,N-diethylethane-1,2-diamine N-Oxide; Metoclopramide Imp. G (EP); Metoclopramide N-Oxide; Metoclopramide Hydrochloride Monohydrate Impurity G; Metoclopramide Impurity G; Metoclopramide Impurity G
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC[N+]([O-])(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Molecular Formula
C14 H22 Cl N3 O3
Molecular Weight
315.8
InChI
InChI=1S/C14H22ClN3O3/c1-4-18(20,5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)21-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
Additionnal Information
IUPAC name: 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Metoclopramide N-oxide
CAS Number171367-22-9
PubChem CID10495577
IUPAC Name2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide
Molecular FormulaC14H22ClN3O3
Molecular Weight315.79
XLogP2.1
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity339
SMILES
CC[N+](CC)(CCNC(=O)C1=CC(=C(C=C1OC)N)Cl)[O-]
InChI
InChI=1S/C14H22ClN3O3/c1-4-18(20,5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)21-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKey
ZEJQXOWYPGUAMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metoclopramide N-oxide
CAS: 171367-22-9
CID: 10495577
Formula: C14H22ClN3O3
MW: 315.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.79
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass315.1349693
Monoisotopic Mass315.1349693
Topological Polar Surface Area82.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity339
Isotope Atom Count0
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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