Chemical Properties of Sufentanil (CAS 56030-54-7)

Sufentanil

InChI
InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
InChI Key
GGCSSNBKKAUURC-UHFFFAOYSA-N
Formula
C22H30N2O2S
SMILES
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
Molecular Weight1
386.55
CAS
56030-54-7
Other Names
  • N-[4-(Methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidinyl]propionalnalide
  • N-[4-(Methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidyl]propionanilide
  • N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenylpropanamide (sufentanil)
  • Propanamide, N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl-
  • R-30730
  • Sufentanyl
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Physical Properties

Property Value Unit Source
ω 0.7728 Relay (1.0) Calculated Property
ΔfG° 275.39 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -145.22 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 119.76 kJ/mol Relay (1.0) Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
log10WS -3.71 Aq. Solubility Prediction
logPoct/wat 4.215 Crippen Calculated Property
McVol 310.510 ml/mol McGowan Calculated Property
Pc 1286.79 kPa Relay (1.0-beta) Calculated Property
Tboil 697.63 K Relay (1.0) Calculated Property
Tc 958.81 K Relay (1.0) Calculated Property
Tfus 389.90 K Aq. Solubility Prediction
Vc 1.079 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 23.85 kJ/mol 370.20 NIST

Similar Compounds

norbormide. Sophoramine. Tinctorine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Sufentanil.

Sources

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