Basic information
- CAS
102670-58-6- Standard SMILES
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCCSC- InChIKey
QRIOIGZLWPJCCP-UHFFFAOYSA-N- Molecular formula
- C16H26ClN3O2S
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1434259
Names & identifiers
- Preferred name
- Metoclopramide sulfide
- IUPAC
- 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-methylsulfanylethoxy)benzamide
- English name
- metoclopramide sulfide
- Molecular formula
- C16H26ClN3O2S
- Molecular weight
- 359.91454
Names & synonyms
Metoclopramide sulfide102670-58-6DTXSID20145447RefChem:158376DTXCID90679384-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-(2-(methylthio)ethoxy)benzamide4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-[2-(methylthio)ethoxy]benzamideSCHEMBL5150764QRIOIGZLWPJCCP-UHFFFAOYSA-N4-AMINO-5-CHLORO-N-[2-(DIETHYLAMINO)ETHYL]-2-[2-(METHYLSULFANYL)ETHOXY]BENZAMIDEBenzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-(2-(methylthio)ethoxy)-
Database identifiers
- CAS
102670-58-6- PubChem CID
- 124098
- DTXSID
DTXSID20145447- Nikkaji
- J487.550H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 345
Chemistry & industry
Applications
DescriptionMetoclopramide sulfide is an anti-emetic and an ML-1035 urinary metabolite..
Suppliers5 total
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
8 records
Compound notes
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