C27H42O4
430.6 g/mol
APIDanger
Calcipotriol monohydrate
CAS147657-22-5
Category
API
Compound Class
Steroid
Primary Use
Pharmaceutical Raw Material
Calcipotriol monohydrate is a hydrate form of calcipotriol, a synthetic vitamin D analogue. It is primarily used as an active pharmaceutical ingredient in topical formulations for the management of plaque psoriasis.
Pharmaceutical raw material for topical antipsoriatic preparationsComponent in combination therapies for plaque psoriasis
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 147657-22-5
Related Compounds
StrongSame Parent
Calcipotriol
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StrongSame Parent
Calcipotriene
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SimilarStructure SimilarSimilarity 0.80
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SimilarStructure SimilarSimilarity 0.78
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Safety Reference
Danger
H300Fatal if swallowed
H310Fatal in contact with skin
H311Toxic in contact with skin
H330Fatal if inhaled
H372Causes damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
InChIKey
XBKHACNRWFKJNC-MANNPBRJSA-N
SMILES
C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C.O
Synonyms (19)
- CALCIPOTRIENE HYDRATE
- Calcipotriene monohydrate
- Calcipotriol hydrate
- Calcipotriol hydrate (JAN)
- Calcipotriol monohydrate
- Calcipotriol monohydrate CRS
- Dovonex (TN)
- MC-903 HYDRATE