19 19  0  0  0  0  0  0  0  0999 V2000
   25.5212  -17.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7355  -18.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5212  -16.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3067  -18.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9499  -17.9670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7355  -20.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3067  -15.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0981  -17.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1642  -18.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0923  -16.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3785  -17.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8721  -15.8594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5930  -18.6501    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   20.6695  -16.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7956  -17.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5930  -20.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4610  -15.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2524  -16.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0497  -15.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  7 10  1  0     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
 14 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
  8 10  2  0     0  0
M  END
> <ID>
CHEBI:9468

> <NAME>
tetracaine

> <DEFINITION>
A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:132027

> <SYNONYM>
p-Butylaminobenzoyl-2-dimethylaminoethanol; p-(butylamino)benzoic acid beta-(dimethylamino)ethyl ester; Diaethylaminoaethanol ester der p-butylaminobenzoesaeure; Amethocaine; 2-(Dimethylamino)ethyl p-(butylamino)benzoate

> <IUPAC_NAME>
2-(dimethylamino)ethyl 4-(butylamino)benzoate

> <INN>
tetracainum; tetracaine; tetracaine; tetracaina

> <BRAND_NAME>
Amethocaine

> <FORMULA>
C15H24N2O2

> <MASS>
264.36330

> <MONOISOTOPIC_MASS>
264.18378

> <CHARGE>
0

> <SMILES>
CCCCNc1ccc(cc1)C(=O)OCCN(C)C

> <INCHI>
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

> <INCHIKEY>
GKCBAIGFKIBETG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
94-24-6

> <REAXYS_REGISTRY_NUMBER>
2216051

> <CHEMIDPLUS>
94-24-6

> <KEGG_COMPOUND_ACCESSION>
C07526

> <KEGG_DRUG_ACCESSION>
D00551

> <LINCS_ACCESSION>
LSM-4633

> <NIST_CHEMISTRY_WEBBOOK>
94-24-6

> <WIKIPEDIA_ACCESSION>
Tetracaine

> <PUBMED_CITATION>
25119673; 7567006; 7574001; 9989796

$$$$