
API0231901
Doxercalciferol
Doxepin Hydrochloride is an antidepressant.
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CAS No.
54573-75-0
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Synonyms
Doxercalciferol; 54573-75-0; 1-Hydroxyergocalciferol
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CHEMBL ID
CHEMBL1200810
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Indications
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Molecule Type
Small molecule
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Compound CID
5281107
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Molecular Weight (g/mol)
412.6
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Molecular Formula
C28H44O2
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InChI
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
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InChIKey
HKXBNHCUPKIYDM-CGMHZMFXSA-N
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SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
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IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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Exact Mass (Da)
412.334130642
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Monoisotopic Mass (Da)
412.334130642
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