Carfentanil Citrate
Basic information
- CAS
61380-27-6- Standard SMILES
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
ZSLYVCXNFQPCGT-UHFFFAOYSA-N- Molecular formula
- C30H38N2O10
- Average molar mass
- 586.6 g/mol
- Monoisotopic mass
- 586.25264541
Overview
See also: Carfentanil (has active moiety).
Names & identifiers
- Preferred name
- Carfentanil Citrate
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylic acid;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
Names & synonyms
Carfentanil citrate61380-27-67LG286J8GVR 33,799R-33799RefChem:123717262-748-6Carfentanil citrate [USAN]Carfentanil citrate (USAN)4-(Methoxycarbonyl)-1-phenethyl-4-(N-phenylpropionylamino)piperidinium dihydrogen citrateMethyl 1-phenethyl-4-(N-phenylpropionamido)isonipecotate citrate (1:1)Carfentanil Citrate (1mg/ml in Acetonitrile)
Show more names
4-[(1-Oxopropyl)phenylamino]-1-(2-phenylethyl)-4-piperidinecarboxylic Acid Methyl Ester 2-Hydroxy-1,2,3-propanetricarboxylate;D03405UNII-7LG286J8GVSCHEMBL121317CHEMBL2106383CARFENTANIL CITRATE [MART.]EINECS 262-748-6AKOS040751031
Database identifiers
- CAS
61380-27-6- PubChem CID
- 9851365
- ChEMBL
CHEMBL2106383- UNII
- 7LG286J8GV
- EC Number
- 262-748-6
Properties
Computed structural properties
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 758
Experimental & physicochemical properties
Animal DrugsFDA approved animal drugs -> Active ingredient
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - 4-Piperidinecarboxylic acid, 4-[(1-oxopropyl)phenylamino]-1-(2-phenylethyl)-, methyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): Human health tier I assessment
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
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Related reactions
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Compound notes
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