Marvin  12131016562D          

 27 28  0  0  0  0            999 V2000
    8.3980  -10.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101   -9.5382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2538  -10.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5791  -10.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5791   -9.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950   -8.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290  -10.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2538  -12.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5572  -12.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7602  -10.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3761   -7.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0508   -7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697   -9.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4130  -12.9148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9044   -9.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3761   -6.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139   -6.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349  -14.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581   -5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6378  -14.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8374  -14.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9546  -14.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8342  -12.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542  -14.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312  -10.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0251  -11.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5824   -8.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 13 25  1  0  0  0  0
  7 26  2  0  0  0  0
  5 27  2  0  0  0  0
M  END
> <ID>
CHEBI:8802

> <NAME>
remifentanil

> <DEFINITION>
A piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:211871

> <SYNONYM>
Remifentanil; REMIFENTANIL

> <IUPAC_NAME>
methyl 1-(3-methoxy-3-oxopropyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

> <INN>
remifentanil

> <FORMULA>
C20H28N2O5

> <MASS>
376.44670

> <MONOISOTOPIC_MASS>
376.19982

> <CHARGE>
0

> <SMILES>
CCC(=O)N(c1ccccc1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC

> <INCHI>
InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3

> <INCHIKEY>
ZTVQQQVZCWLTDF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
132875-61-7

> <REAXYS_REGISTRY_NUMBER>
4358750

> <CHEMIDPLUS>
132875-61-7

> <DRUGBANK_ACCESSION>
DB00899

> <KEGG_COMPOUND_ACCESSION>
C08021

> <KEGG_DRUG_ACCESSION>
D08473

> <WIKIPEDIA_ACCESSION>
Remifentanil

$$$$