Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04SEX
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| Former ID |
DIB020789
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| Drug Name |
R,R-THC
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| Synonyms |
(R,R)-THC; 138090-06-9; (R,R)-cis-Diethyl tetrahydro-2,8-chrysenediol; R,R-THC; CHEMBL282489; 221368-54-3; (5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol; (R,R)-5,11-DIETHYL-5,6,11,12-TETRAHYDRO-2,8-CHRYSENEDIOL; (R,R)-cis-Diethyltetrahydro-2,8-chrysenediol; (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL; Lopac-D-8690; AC1L9K5Y; Lopac0_000463; MLS002153151; BIDD:ER0043; GTPL2822; DTXSID6040749; SCHEMBL13352540; CTK4E8744; MolPort-003-941-174; HMS3268D03; HMS3261M08; HMS2232C18; ZINC3940885; Tox21_500463
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C22H24O2
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| Canonical SMILES |
CCC1CC2=C(C=CC(=C2)O)C3=C1C4=C(CC3CC)C=C(C=C4)O
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| InChI |
1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
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| InChIKey |
MASYAWHPJCQLSW-ZIAGYGMSSA-N
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| CAS Number |
CAS 221368-54-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
825341, 825342, 7887367, 10299964, 11111107, 15770585, 17405026, 24278394, 26753569, 26753570, 36889159, 47943753, 50106248, 50106249, 50571333, 53777569, 56463009, 85788173, 90340585, 91703954, 92303758, 93165495, 103191856, 104637114, 121361372, 124749738, 124800048, 135650105, 135698475, 162023133, 162817061, 163564417, 175448517, 179235796, 204430851, 238349797, 241033755, 241053568, 241375728, 252156239
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| References | Top | |||
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| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2822). | |||
| REF 2 | Novel ligands that function as selective estrogens or antiestrogens for estrogen receptor-alpha or estrogen receptor-beta. Endocrinology. 1999 Feb;140(2):800-4. | |||
| REF 3 | Estrogen receptor subtype-selective ligands: asymmetric synthesis and biological evaluation of cis- and trans-5,11-dialkyl- 5,6,11, 12-tetrahydrochrysenes. J Med Chem. 1999 Jul 1;42(13):2456-68. | |||
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