Compound page

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C16H21N
APtclcactv08032321563D 0   0.00000     0.00000
 
 38 41  0  0  1  0  0  0  0  0999 V2000
   -0.7509   -0.2285   -0.7595 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6407    0.2513    0.3895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1302    1.6231    0.8339 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5702   -1.0889   -0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817    0.5189    1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015   -1.1291   -0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3581   -0.3195    0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262    3.4853    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1805   -1.6168   -1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409   -0.7339    1.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849   -2.5975   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9905   -2.1208    1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790    0.7734   -1.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351    1.4804    1.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407    2.1223   -1.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894   -0.2425   -0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390    0.5576    0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1268    2.5728   -0.2711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6718    0.3355    0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108    2.0007    1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2927    0.4307   -2.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9256    0.8754   -2.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2092   -1.5786   -1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -1.9508   -2.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    2.4633    1.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075    1.0881    2.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5086   -0.7836    1.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -0.3980    2.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118   -1.7201   -1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7031    2.0112   -1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4158    2.8580   -2.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4031   -3.5872   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -2.6447    0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -2.8209    1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205   -2.0696    0.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    1.1506    1.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833   -1.7904   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -0.3437    0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 18  1  0  0  0  0
 15 18  1  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 13  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
 16 17  2  0  0  0  0
  4 16  1  0  0  0  0
  3 14  1  0  0  0  0
 14 17  1  0  0  0  0
  5 17  1  0  0  0  0
 13 15  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 18  1  0  0  0  0
  3 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
  4 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
M  END
$$$$

MOL SMILES InChIKey

Chemistry
Reaction

Compound Description

NA

Identification

IUPAC Names

morphinan

Molecular Formula

C16H21N

Mass

227.34468

Monoisotopic Mass

227.16740

Charge

InChI

InChI=1S/C16H21N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15+,16-/m0/s1

InChIKey

INAXVFBXDYWQFN-XHSDSOJGSA-N

SMILES

[H][C@@]12CCCC[C@@]11CCN[C@@H]2Cc2ccccc12

Species

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MTBLC35649: morphinan

NA

Identification

Species

Europe PubMed Central results

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MTBLC35649: morphinan

NA

Identification

Species

Europe PubMed Central results