Basic information
- CAS
1337-59-3- Standard SMILES
CCC(=O)OCCNC(=O)C[n+]1ccccc1.[Cl-]- InChIKey
OSCJJMKLQGAGML-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O3
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0927701
Overview
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Names & identifiers
- Preferred name
- Undecoylium chloride iodine complex
- IUPAC
- 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate chloride
Names & synonyms
Undecoylium chloride-iodineUNII-O4CEK7FP0DO4CEK7FP0D1-({[2-(PROPANOYLOXY)ETHYL]CARBAMOYL}METHYL)PYRIDIN-1-IUM CHLORIDE1-(((2-(propanoyloxy)ethyl)carbamoyl)methyl)pyridin-1-ium chlorideRefChem:193108UNDECOYLINIUM CHLORIDE-IODINEUNDECOYLIUM CHLORIDE-IODINE [WHO-DD]UNDECOYLIUM CHLORIDE IODINE COMPLEX [ORANGE BOOK]VIRAC REX COMPONENT UNDECOYLIUM CHLORIDE IODINE COMPLEXUNDECOYLIUM CHLORIDE IODINE COMPLEX COMPONENT OF VIRAC REXUndecoylium chloride
Show more names
1338-54-1VIRAC1337-59-3SCHEMBL29470210EBC-26394DB09377EN300-333896182842083-79-6
Database identifiers
- CAS
1337-59-3、1338-54-1- PubChem CID
- 14930
Properties
Computed structural properties
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Related reactions
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Compound notes
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