C27H40O3
412.6 g/mol
APIDanger
Calcipotriol
CAS112828-00-9
Category
API
Compound Class
Steroid
Primary Use
Pharmaceutical Raw Material
Calcipotriol, also known as calcipotriene, is a synthetic derivative of calcitriol, a form of vitamin D. It is used as an active pharmaceutical ingredient in products for the management of psoriasis.
pharmaceutical raw material for psoriasis therapies
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 112828-00-9
Related Compounds
StrongSame Parent
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StrongSame Parent
Calcipotriene hydrate
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SimilarStructure SimilarSimilarity 0.80
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Impurity of Doxercalciferol
SimilarStructure SimilarSimilarity 0.80
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SimilarStructure SimilarSimilarity 0.73
Mc-1046
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ReferenceSame Category
22-hydrogenated racemic calcipotriol
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pharmaceutical raw material
ReferenceSame Category
Mosapride
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Safety Reference
Danger
H300Fatal if swallowed
H310Fatal in contact with skin
H311Toxic in contact with skin
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H330Fatal if inhaled
H335May cause respiratory irritation
H362May cause harm to breast-fed children
H372Causes damage to organs through prolonged or repeated exposure
H301Toxic if swallowed
H331Toxic if inhaled
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
InChIKey
LWQQLNNNIPYSNX-UROSTWAQSA-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
Synonyms (37)
- U-0267
- Calcipotriene (USP)
- 1s19
- CALCIPOTRIOL [MART.]
- Calcipotriol
- Calcipotriol (JAN)
- Calcipotriol (Standard)
- Calcipotriol anhydrous
- Calcipotriol hydrate
- Calciptriol
- Calcitrene
- Daivonex
- Divonex
- Dovonex
- Dovonex (TN)
- Psorcutan
- Sorilux
- Trionex
- Xamiol
- calcipotriene
- calcipotriolo
- calcipotriolum