Cas no 112828-00-9 (Calcipotriol)

Calcipotriol is a synthetic vitamin D3 analog used primarily in the treatment of psoriasis. It functions by modulating keratinocyte differentiation and proliferation, thereby reducing the hyperproliferative and inflammatory characteristics of psoriatic lesions. Its mechanism of action involves binding to vitamin D receptors (VDR) in the skin, regulating gene expression to restore normal epidermal growth. Calcipotriol is noted for its efficacy in plaque psoriasis, either as monotherapy or in combination with corticosteroids. It offers a favorable safety profile with minimal systemic absorption, reducing the risk of hypercalcemia compared to other vitamin D analogs. The compound is available in topical formulations, including creams, ointments, and scalp solutions, providing targeted treatment with low irritation potential.

Calcipotriol structure

Product Name:Calcipotriol

CAS No:112828-00-9

MF:C₂₇H₄₀O₃

MW:412.60470867157

CID:62960

PubChem ID:5288783

Update Time:2025-06-29

Calcipotriol Chemical and Physical Properties

Names and Identifiers

- Calcipotriol
- (1r,3s,5z)-5-[(2e)-2-[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
- (1s,3s,5z)-5-[(2e)-2-[(1r,3ar,7ar)-1-[(e,2s)-5-cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
- 24-CYCLOPROPYL-(1ALPHA,3BETA,5Z,7E,22E,24S)-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL
- CALCIPOTRIENE
- Calcipotriol (hydrate)
- (1R,3S,5Z)-5-[(2E)-2-[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-methylid
- CALCIPOTRIENE (USP-RS)
- EN300-21702588
- Sorilux
- MLS001424130
- HMS3413D04
- CALCIPOTRIOL [EP MONOGRAPH]
- SR-01000762910
- NCGC00167465-01
- HMS2089J08
- 1s19
- D01125
- Divonex
- Calsodore
- 1,24(OH)2-22-ene-24-cyclopropyl D3
- Q155683
- Calcitrene
- HMS3269P03
- Epitope ID:114242
- DTXSID0046648
- (22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrocholecalciferol / Calcipotriol
- STF-115469
- CCG-100949
- 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E,24S)-
- Calcipotriene [USAN]
- CALCIPOTRIENE [USP MONOGRAPH]
- HMS3677D04
- CALCIPOTRIENE [VANDF]
- HMS3713K08
- CS-0387
- AB00698343-05
- s3739
- Calcipotriol hydrate
- 143NQ3779B
- BDBM50369964
- CALCIPOTRIENE [ORANGE BOOK]
- SMR000466353
- SR-01000762910-4
- Calcipotriol (JAN)
- CALCIPOTRIENE [USP-RS]
- (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
- 112828-00-9
- NC00199
- 9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E)-
- Calciptriol
- CALCIPOTRIOL [WHO-DD]
- EX-A4430
- SR-01000762910-3
- SCHEMBL2853
- CALCIPOTRIENE (USP MONOGRAPH)
- Dovonex
- (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol
- CALCIPOTRIOL [JAN]
- (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol hydrate
- CHEMBL1200666
- MFCD10567086
- calcipotriolo
- LWQQLNNNIPYSNX-UROSTWAQSA-N
- AS-56390
- Daivonex
- Calcipotriol [INN]
- Dovonex (TN)
- AKOS015855239
- 112965-21-6
- MC903
- CALCIPOTRIOL (EP MONOGRAPH)
- Calcipotriene (USP)
- (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
- calcipotriolum
- BMS-181161
- MC-903
- AMY2864
- (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol
- CalcipotrieneMC 903
- HY-10001
- CPD000466353
- (1?,3?,5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol
- CHEBI:50749
- (5Z,7E,22E)-(1S,3R,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
- CALCIPOTRIOL [MART.]
- CALCIPOTRIOL (MART.)
- PRI-2201
- DTXCID8026648
- GTPL2778
- HMS2051N11
- (1S,3R,5Z,7E,14beta,17alpha,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol
- Calcipotriol anhydrous
- 9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL, 24-CYCLOPROPYL-, (1.ALPHA.,3.BETA.,5Z,7E,22E,24S)-
- CCRIS 7700
- U-0267
- PRI 2201
- D05AX02
- CALCIPOTRIENE [MI]
- Psorcutan
- MLS000759467
- MC 903
- UNII-143NQ3779B
- DB02300
- LMST03020106
- Calcipotriene/calcipotriol
- Inchi： 1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
- InChI Key： LWQQLNNNIPYSNX-UROSTWAQSA-N
- SMILES： O[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C(=C)[C@H](C[C@@H](C\3)O)O)/CCC[C@]12C)C1CC1

Computed Properties

Exact Mass: 412.29800
Monoisotopic Mass: 430.308
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 31
Rotatable Bond Count: 5
Complexity: 743
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 7
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 3
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 61.7A^2
XLogP3: 4.3

Experimental Properties

Density: 1.12 g/cm3
Boiling Point: 582oC at 760 mmHg
Flash Point: 250.6oC
Refractive Index: 1.579
PSA: 60.69000
LogP: 5.09060

Calcipotriol Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Ambeed	A231483-1g	Calcipotriol	112828-00-9	95%	1g	$890.0	2024-04-26
A2B Chem LLC	AY25177-25mg	Calcipotriene	112828-00-9		25mg	$521.00	2024-04-20
A2B Chem LLC	AY25177-100mg	Calcipotriene	112828-00-9		100mg	$874.00	2024-04-20
A2B Chem LLC	AY25177-250mg	Calcipotriene	112828-00-9		250mg	$1815.00	2024-04-20

Calcipotriol Suppliers

Suzhou Senfeida Chemical Co., Ltd

Gold Member

Audited Supplier

(CAS:112828-00-9)Calcipotriene

Order Number:sfd22285

Stock Status:in Stock

Quantity:200kg

Purity:99.9%

Pricing Information Last Updated:Friday, 19 July 2024 14:39

Price ($):discuss personally

Email:[email protected]

Product Official Link

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