Calcipotriol monohydrate, 98% （NMR）

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

Calcipotriol monohydrate, 98% （NMR） (CAS 147657-22-5) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg, 10mg, 25mg, 50mg. Offered by: Ambeed, Chemat.

brandAmbeed
catalog numberA648541-100mg
cas147657-22-5
size100mg
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Available pack sizes

brand size price
Ambeed 100mg 3007.00 Pln
Ambeed 250mg 5660.31 Pln
Chemat 10mg 587.60 Pln
Chemat 25mg 1053.20 Pln
Chemat 50mg 1648.40 Pln
Chemat 100mg 1974.80 Pln
Chemat 250mg 3698.00 Pln

properties

purity98% （NMR）
delivery time 2-3 weeks
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 TargetMol CAS 147657-22-5
Calcipotriol monohydrate - Bio-X â„¢ Biosynth 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
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5S,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol hydrate, 98% （NMR） BLDpharm CAS 147657-22-5