Fentanyl citrate

C₂₈H₃₆N₂O₈CAS 990-73-8528.60 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic acid Tertiary amine

Properties

Molecular formula: C₂₈H₃₆N₂O₈
Molar mass: 528.60 g/mol
Exact mass: 528.2472 Da
Melting point: 149–151 °C
logP: 2.89Crippen estimate
Polar surface area: 155.7 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 11

Hazards

Danger

H300 Fatal if swallowed100% of notifiers
H310 Fatal in contact with skin91.2% of notifiers
H317 May cause an allergic skin reaction86.8% of notifiers
H330 Fatal if inhaled94.1% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled86.8% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

990-73-8

SMILES

CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

InChIKey

IVLVTNPOHDFFCJ-UHFFFAOYSA-N

InChI

InChI=1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all

Propanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Propionanilide, N-(1-phenethyl-4-piperidyl)-, citrate (1:1)
McN-JR 4263-49
N-(1-Phenethyl-4-piperidinyl)propionanilide dihydrogen citrate
N-(1-Phenethyl-4-piperidyl)propionanilide citrate
Phentanyl citrate
Sublimaze
Leptanal
R 5240
McN-JR 4263
Fentaz
Duragesic
Actiq
Leptanol
Pentanyl
Oralet
Oravescent
Fentanil citrate
NasalFent
Onsolis
Fentos tape
Instanyl

Work with Fentanyl citrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Ammonium ferric citrate1185-57-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt Clostilbegit50-41-9Salt

Similar compounds

3-Benzyl-3-methylpentanoic acid53663-16-434 % similar (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-832 % similar (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-532 % similar N-Phenethyl-4-piperidinone39742-60-432 % similar 1-Phenethyl-piperidin-4-ylamine51448-56-732 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-331 % similar N-Benzylaminodiacetic acid3987-53-931 % similar Bilastine202189-78-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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