Basic information
- CAS
112573-73-6- Standard SMILES
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1- InChIKey
ODUOJXZPIYUATO-LJQANCHMSA-N- Molecular formula
- C21H23NO4S
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.13477939
Names & identifiers
- Preferred name
- Ecadotril
- IUPAC
- benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
- English name
- Ecadotril
- Molecular formula
- C21H23NO4S
- Molecular weight
- 385.482
Names & synonyms
ECADOTRILSinorphan112573-73-6BP 1.02EcadotriloBAY y 74326XSR933SRKBAY-Y-7432Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (S)-BP-1.02DTXCID6025513S-049
Show more names
S.049BAY-y 7432S-Acetorphan(S)-Benzyl 2-(3-(acetylthio)-2-benzylpropanamido)acetateBENZYL N-[(2S)-3-(ACETYLSULFANYL)-2-BENZYLPROPANOYL]GLYCINATE
DTXSID40861036ecadotrilumRacecadotril (s)-acetorphan, (S)-RefChem:920801Racecadotril (s)-formbenzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetateS049
Database identifiers
- CAS
112573-73-6- PubChem CID
- 60561
- DTXSID
DTXSID40861036- ChEMBL
CHEMBL1516410- UNII
- 6XSR933SRK
- Nikkaji
- J291.384D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Human DrugsBreast Feeding; Lactation; Milk, Human; Antidiarrheals
Physicochemical properties
- Melting point
- 71 ° · 71°
- alpha
- 25 · D25 -24.1° (c = 1.3 in methanol)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 6 XSR933SRK · 6XSR933SRK
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- Toxicity
- LD50 i.v. in mice: >100 mg/kg (Duhamel, 1993)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC CodeA07XA04
MeSH Pharmacological Classification
Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition.
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
Applications
UsesSinorphan is an inhibitor of angiotensin-converting enzyme and neutral endopeptidase.
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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