ChEBI


 28 30  0  0  0  0  0  0  0  0  1 V2000
   10.6119  -32.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6119  -34.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440  -32.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440  -34.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760  -32.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760  -34.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799  -32.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799  -30.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9478  -32.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9478  -34.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9478  -30.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9478  -28.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1158  -30.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1158  -28.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2837  -30.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2837  -28.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6119  -30.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440  -30.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6119  -28.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760  -30.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440  -28.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2760  -28.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081  -28.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081  -26.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401  -26.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401  -24.8432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081  -24.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7722  -24.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
 10  9  1  0  0  0  0
  7  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
  8 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 22 21  2  0  0  0  0
  8 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
> <ID>
CHEBI:41774

> <NAME>
tamoxifen

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41767; CHEBI:9396

> <SYNONYM>
trans-Tamoxifen; Tamoxifen; 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene; 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene; (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine; (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine

> <IUPAC_NAME>
2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine

> <INN>
tamoxifenum; tamoxifeno; tamoxifene; tamoxifen

> <BRAND_NAME>
Zemide; Valodex; Tamoxasta; Tamone; Tamofen; Retaxim; Oncomox; Nourytam; Noltam; Istubol; Gen-Tamoxifen; Diemon; Crisafeno; Citofen; Apo-Tamox

> <FORMULA>
C26H29NO

> <MASS>
371.51460

> <MONOISOTOPIC_MASS>
371.22491

> <CHARGE>
0

> <SMILES>
CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1

> <INCHI>
InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-

> <INCHIKEY>
NKANXQFJJICGDU-QPLCGJKRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2062020

> <CAS_REGISTRY_NUMBER>
10540-29-1

> <CHEMIDPLUS>
10540-29-1

> <DRUGBANK_ACCESSION>
DB00675

> <KEGG_COMPOUND_ACCESSION>
C07108

> <KEGG_DRUG_ACCESSION>
D08559

> <WIKIPEDIA_ACCESSION>
Tamoxifen

> <PUBMED_CITATION>
14681337; 14709804; 18348622; 7688593

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