Products 112965-21-6

CAS 112965-21-6 appears in our catalog under these names: Calcipotriol (Calcipotriene), Calcipotriene, >95% (HPLC), (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, 95%, Calcipotriol/ 99.07% (existing batch purity), Calcipotriol. Offered by: Chemat Brand, TRC, AmBeed, TargetMol, GLPBio. Available pack sizes: on request, 10mg, 1mg, 50mg, 1g, 5mg, 25mg, 100mg.

Calcipotriol (Calcipotriene)
Chemat Brand
  • size: on request
  • Variants: 1
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Calcipotriene, >95% (HPLC)
TRC
  • size: 10mg, 1mg, 50mg
  • Variants: 3
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(1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, 95%
AmBeed
  • size: 1g
  • Variants: 1
from 5863.90
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Calcipotriol/ 99.07% (existing batch purity)
TargetMol
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 5
from 525.34
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Calcipotriol
GLPBio, Biosynth
  • size: 10mg, 100mg, 50mg, 500mg
  • Variants: 9
from 685.97
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Calcipotriol 98%
Ambeed
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 6
from 392.62
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CALCIPOTRIOL HYDRATE, >=98% (HPLC)
Sigma-Aldrich
  • size: 10MG, 50MG
  • Variants: 2
from 1070.00
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(1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, 98%, 98%
Chemat
  • size: 25mg, 50mg, 100mg, 250mg
  • Variants: 4
from 472.40
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Calcipotriol, 99.93%
MedChemExpress
  • size: 50 mg, 10 mg, 5 mg, 100 mg
  • Variants: 4
from 435.79
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Calcipotriol (Standard), 99.43%
MedChemExpress
  • size: 10 mg, 100 mg, 5 mg, 25 mg
  • Variants: 5
from 793.38
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Structural formula: {0} (CAS {1})

Calcipotriol is a seco-cholestane that is 26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene carrying additional hydroxy substituents at positions 1, 3 and 24. It is used (as its hydrate) in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. It has a role as an antipsoriatic and a drug allergen. It is a triol, a secondary alcohol, a seco-cholestane, a hydroxy seco-steroid and a member of cyclopropanes.

Source: ChEBI

Identity
Molecular formulaC27H40O3
Molecular weight412.6 g/mol
IUPAC nametrans-(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
InChIKeyLWQQLNNNIPYSNX-UROSTWAQSA-N
SMILESC[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

Computed by PubChem (NCBI)

Synonyms: Calcipotriol, calcipotriene, Dovonex, Calciptriol, Daivonex, Calcitrene, Calcipotriol anhydrous, calcipotriolo, calcipotriolum, Trionex
Related forms of this compound
trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-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 C27H40O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-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 C27H40O3
trans-(1R,3S,5E)-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 C27H40O3
cis-(1R,3R,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 C27H40O3
Isomers (same molecular formula)
(4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpentan-1-one C27H40O3
(1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol C27H40O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate C27H40O3
[(8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate C27H40O3