C28H44O2
412.6 g/mol
APIDanger
9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1alpha,3beta,5E,7E,22E)-
CAS74007-20-8
Category
API
Compound Class
Steroid
Primary Use
Pharmaceutical Raw Material
This compound is an active pharmaceutical ingredient, a synthetic vitamin D analog with a secosteroid structure. It is characterized by a trans-configured cyclohexanediol moiety and multiple stereocenters, and is supplied for pharmaceutical manufacturing and research purposes.
pharmaceutical manufacturingresearch as a vitamin D analog
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 74007-20-8
Related Compounds
SimilarStructure SimilarSimilarity 0.80
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Referencestereoisomer of
(1R,3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-1,3-diol
CAS127516-23-8
Impurity of Doxercalciferol
Referencestereoisomer of
Doxercalciferol
CAS54573-75-0
pharmaceutical raw material
Safety Reference
Danger
H300Fatal if swallowed
H361Suspected of damaging fertility or the unborn child
Identifiers
IUPAC Name
trans-(1R,3S,5E)-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
InChIKey
HKXBNHCUPKIYDM-HBZIUUSASA-N
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
Synonyms (9)
- trans-Doxercalciferol