
API0231796
Paricalcitol
Pargyline Hydrochloride is an antihypertensive.
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CAS No.
131918-61-1
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Synonyms
Paricalcitol; 131918-61-1; Compound 49510
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CHEMBL ID
CHEMBL1200622
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Indications
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Molecule Type
Small molecule
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Compound CID
5281104
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Molecular Weight (g/mol)
416.6
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Molecular Formula
C27H44O3
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InChI
InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
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InChIKey
BPKAHTKRCLCHEA-UBFJEZKGSA-N
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SMILES
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C
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IUPAC Name
(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
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Exact Mass (Da)
416.32904526
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Monoisotopic Mass (Da)
416.32904526
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