Calcipotriol monohydrate

cas: 147657-22-5 — see every product listed under this CAS number, including other names

Calcipotriol monohydrate (CAS 147657-22-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg, 250mg, 500mg. Offered by: TargetMol, Biosynth.

brandTargetMol
catalog numberTQ0244-5mg
cas147657-22-5
size5mg
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Available pack sizes

brand size price
TargetMol 5mg 386.15 Pln
TargetMol 10mg 452.11 Pln
TargetMol 25mg 684.65 Pln
TargetMol 50mg 1089.93 Pln
TargetMol 100mg 1846.81 Pln
Biosynth 50mg price on request
Biosynth 25mg price on request
Biosynth 100mg price on request
Biosynth 250mg price on request
Biosynth 500mg price on request

properties

purityNo data
delivery timeapprox. 19 days
Structural formula: {0} (CAS {1})

Calcipotriol hydrate is a hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. It has a role as an antipsoriatic. It contains a calcipotriol.

Source: ChEBI

Identity
Molecular formulaC27H42O4
Molecular weight430.6 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;hydrate
InChIKeyXBKHACNRWFKJNC-MANNPBRJSA-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.O

Computed by PubChem (NCBI)

Synonyms: Calcipotriol monohydrate, CALCIPOTRIENE HYDRATE, Calcipotriene monohydrate, Calcipotriol hydrate, Calcipotriol (monohydrate), Dovonex (TN), Calcipotriol hydrate (JAN), CALCIPOTRIOL HYDRATE [JAN], Calcipotriol monohydrate CRS, Calcipotriol hydrate, >=98% (HPLC)
Isomers (same molecular formula)
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one C27H42O4
methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol C27H42O4
(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4
methyl (4R)-4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-8,16-diol C27H42O4
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methylheptan-4-one C27H42O4
(2R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4
(6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4
methyl (4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H42O4
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one C27H42O4
(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O4

Also listed as

Calcipotriol Monohydrate, >95% (HPLC) TRC CAS 147657-22-5
Calcipotriol monohydrate - Bio-X â„¢ Biosynth CAS 147657-22-5
Calcipotriol monohydrate 98% （NMR） Ambeed CAS 147657-22-5
Calcipotriol monohydrate, 98% （NMR）, 98% （NMR） Chemat CAS 147657-22-5
Calcipotriol (monohydrate), 99.95% MedChemExpress CAS 147657-22-5
Calcipotriol (monohydrate) (Standard) MedChemExpress CAS 147657-22-5
Calcipotriol monohydrate, BioScience Grade, 10 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 25 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 50 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 100 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 250 mg Roth CAS 147657-22-5
Calcipotriol monohydrate, min. 96 %, 500 mg Roth CAS 147657-22-5