metoclopramide hydrochloride anhydrous

C14H23Cl2N3O2 — CID 23659

IUPAC4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl
InChIInChI=1S/C14H22ClN3O2.ClH/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
InChIKeyRVFUNJWWXKCWNS-UHFFFAOYSA-N
MW336.30 g/mol
LogP—
Rot. Bonds7

About metoclopramide hydrochloride anhydrous

metoclopramide hydrochloride anhydrous (PubChem CID 23659) has the molecular formula C14H23Cl2N3O2 and a molecular weight of 336.30 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Namemetoclopramide hydrochloride anhydrous
PubChem CID23659
Molecular FormulaC14H23Cl2N3O2
Molecular Weight336.30 g/mol
Exact Mass335.12
IUPAC Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride
SMILESCCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl
InChIInChI=1S/C14H22ClN3O2.ClH/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
InChIKeyRVFUNJWWXKCWNS-UHFFFAOYSA-N
XLogP—
TPSA67.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity300

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Metoclopramide
CID 4168
Cisapride
CID 6917698
Cisapride monohydrate
CID 6917697
Cisapride (USP/INN)
CID 2769
Prucalopride
CID 3052762
Nemonapride
CID 156333
Clebopride
CID 2780
Alimix
CID 13677778
Mosapride
CID 119584
Metoclopramide Hydrochloride
CID 441347
Zacopride
CID 108182
Norcisapride
CID 3019427

Frequently Asked Questions

What is the IUPAC name of metoclopramide hydrochloride anhydrous?
The IUPAC name of metoclopramide hydrochloride anhydrous (CID 23659) is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for metoclopramide hydrochloride anhydrous?
The canonical SMILES for metoclopramide hydrochloride anhydrous is CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl.
What is the InChIKey of metoclopramide hydrochloride anhydrous?
The InChIKey is RVFUNJWWXKCWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2.ClH/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.
What are the key properties of metoclopramide hydrochloride anhydrous?
metoclopramide hydrochloride anhydrous has a molecular weight of 336.30 g/mol, XLogP of not available, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for metoclopramide hydrochloride anhydrous is sourced from PubChem (CID 23659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).