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Metoclopramide hydrochloride

CAT: 1266-JH914153Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
54143-57-6
Molecular Formula
C14H22ClN3O2.ClH
Molecular Weight
:336.26

Chemical Information

Metoclopramide Hydrochloride

Metoclopramide hydrochloride is a hydrate that is the monohydrate form of metoclopramide monohydrochloride. It has a role as a dopaminergic antagonist, an antiemetic and a gastrointestinal drug. It is a hydrate and a hydrochloride. It contains a metoclopramide(1+).

CAS Number54143-57-6
PubChem CID441347
IUPAC Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;hydrochloride
Molecular FormulaC14H25Cl2N3O3
Molecular Weight354.3
Topological Polar Surface Area68.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity300
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl
InChI
InChI=1S/C14H22ClN3O2.ClH.H2O/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);1H;1H2
InChIKey
KJBLQGHJOCAOJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metoclopramide Hydrochloride
CAS: 54143-57-6
CID: 441347
Formula: C14H25Cl2N3O3
MW: 354.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass353.1272971
Monoisotopic Mass353.1272971
Topological Polar Surface Area68.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T1069-01Metoclopramide hydrochloride
HY-17382B-01Metoclopramide (hydrochloride)
BUP15829-01Metoclopramide hydrochloride hydrate
AR-M03246-01Metoclopramide Hydrochloride Monohydrate
HY-17382A-01Metoclopramide (hydrochloride hydrate)

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