Basic information
- CAS
61086-45-1- Standard SMILES
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2cccs2)CC1.O=C(O)C(=O)O- InChIKey
BABZHNGIRGHXSO-UHFFFAOYSA-N- Molecular formula
- C24H30N2O7S
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.17737247
Overview
structure given in first source
Names & identifiers
- Preferred name
- Thiofentanil oxalate
- IUPAC
- methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate;oxalic acid
- English name
- thiofentanil oxalate
- Molecular formula
- C24H30N2O7S
- Molecular weight
- 490.57
Names & synonyms
73005-06-8RefChem:189522Thiofentanil oxalate61086-45-1Methyl 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate ethanedioateDTXSID909765834-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, ethanedioate4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, ethanedioate (1:1)Oxalic acid--methyl 4-(N-phenylpropanamido)-1-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxylate (1/1)Oxalic acid--methyl 4-[phenyl(propanoyl)amino]-1-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxylate (1/1)
Database identifiers
- CAS
61086-45-1、73005-06-8- PubChem CID
- 175383
- DTXSID
DTXSID90976583
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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