Cas no 147657-22-5 (Calcipotriol monohydrate)
Calcipotriol monohydrate is a synthetic vitamin D3 analog used primarily in dermatological applications for the treatment of psoriasis. Its monohydrate form enhances stability and solubility, ensuring consistent efficacy in topical formulations. The compound acts by modulating keratinocyte differentiation and proliferation, reducing the hyperproliferative skin lesions characteristic of psoriasis. Calcipotriol monohydrate exhibits high receptor affinity with minimal impact on calcium metabolism, minimizing systemic side effects. Its well-characterized pharmacokinetic profile and compatibility with excipients make it a reliable active pharmaceutical ingredient (API) for creams, ointments, and solutions. The monohydrate crystalline structure further ensures batch-to-batch reproducibility in manufacturing.
Calcipotriol monohydrate structure
Product Name:Calcipotriol monohydrate
CAS No:147657-22-5
MF:C27H42O4
MW:430.619988918304
CID:105217
PubChem ID:49800068
Update Time:2025-05-20
Calcipotriol monohydrate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,hydrate (1:1), (1R,3S,5Z)-
- 1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4
- Calcipotriol (monohydrate)
- Calcipotriol monohydrate
- (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol hydrate
- (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol
- (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol monohydrate
- CALCIPOTRIENE HYDRATE
- calcipotriene
- Calcipotriene monohydrate
- S7499TYY6G
- Calcipotriol hydrate
- Dovonex (TN)
- (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
- Calcipotriol (hydrate)
- Calcipotriol hydrate (JAN)
- C27H40O3.H2O
- 1652AH
- AK
- EX-A4430A
- CALCIPOTRIENE HYDRATE COMPONENT OF ENSTILAR
- (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate
- TACLONEX COMPONENT CALCIPOTRIENE HYDRATE
- (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
- AKOS025312514
- CS-0812
- ENSTILAR COMPONENT CALCIPOTRIENE HYDRATE
- HY-10001A
- D10198
- CHEBI:90861
- CALCIPOTRIOL MONOHYDRATE [WHO-DD]
- 9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL, 24-CYCLOPROPYL-, (1.ALPHA.,3.BETA.,5Z,7E,22E,24S)-, MONOHYDRATE
- Calcipotriol hydrate, >=98% (HPLC)
- SCHEMBL465450
- CALCIPOTRIENE HYDRATE COMPONENT OF TACLONEX
- MS-27664
- 147657-22-5
- CALCIPOTRIOL HYDRATE [JAN]
- CALCIPOTRIOL MONOHYDRATE [EP MONOGRAPH]
- Q27162836
- CALCIPOTRIENE HYDRATE [ORANGE BOOK]
- CALCIPOTRIENE MONOHYDRATE [USP MONOGRAPH]
- UNII-S7499TYY6G
- A902099
- MC-903 HYDRATE
- XBKHACNRWFKJNC-MANNPBRJSA-N
-
- Inchi： 1S/C27H40O3.H2O/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;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1
- InChI Key： XBKHACNRWFKJNC-MANNPBRJSA-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.O
Computed Properties
- Exact Mass: 430.30800
- 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: 61.7
Experimental Properties
- Density: 1.12
- Boiling Point: 582°C at 760 mmHg
- Flash Point: 250.6°C
- Refractive Index: 1.579
- PSA: 69.92000
- LogP: 5.02630
Calcipotriol monohydrate Security Information
- Hazardous Material transportation number：UN 2811 6.1 / PGII
- Storage Condition：4°C, protect from light, stored under nitrogen
Calcipotriol monohydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | Y0000473 |
Calcipotriol monohydrate |
147657-22-5 | European Pharmacopoeia (EP) Reference Standard | ￥2654.27 | 2022-02-23 | ||
| ChemScence | CS-0812-5mg |
Calcipotriol monohydrate |
147657-22-5 | 99.75% | 5mg |
$60.0 | 2022-04-27 | |
| ChemScence | CS-0812-10mg |
Calcipotriol monohydrate |
147657-22-5 | 99.75% | 10mg |
$84.0 | 2022-04-27 | |
| ChemScence | CS-0812-50mg |
Calcipotriol monohydrate |
147657-22-5 | 99.75% | 50mg |
$288.0 | 2022-04-27 | |
| ChemScence | CS-0812-100mg |
Calcipotriol monohydrate |
147657-22-5 | 99.75% | 100mg |
$528.0 | 2022-04-27 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce55410-5mg |
Calcipotriol monohydrate |
147657-22-5 | 98% | 5mg |
￥540.00 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce55410-10mg |
Calcipotriol monohydrate |
147657-22-5 | 98% | 10mg |
￥792.00 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce55410-50mg |
Calcipotriol monohydrate |
147657-22-5 | 98% | 50mg |
￥2700.00 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce55410-100mg |
Calcipotriol monohydrate |
147657-22-5 | 98% | 100mg |
￥4050.00 | 2023-09-07 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TQ0244-25 mg |
Calcipotriol monohydrate |
147657-22-5 | 25mg |
￥3100.00 | 2021-09-23 |
Calcipotriol monohydrate Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:147657-22-5)Calcipotriol monohydrate
Order Number:A902099
Stock Status:in Stock
Quantity:50mg/100mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:10
Price ($):439.0/677.0
Email:[email protected]
Calcipotriol monohydrate Related Literature
-
Anqi Chen,Yuting Luo,Jie Xu,Xueran Guan,Huacheng He,Xuan Xuan,Jiang Wu J. Mater. Chem. B 2022 10 7397
-
Girgis Obaid,Mans Broekgaarden,Anne-Laure Bulin,Huang-Chiao Huang,Jerrin Kuriakose,Joyce Liu,Tayyaba Hasan Nanoscale 2016 8 12471
-
Katie M. Dixon,Vanessa B. Sequeira,Aaron J. Camp,Rebecca S. Mason Photochem. Photobiol. Sci. 2010 9 564
-
Norazlinaliza Salim,Noraini Ahmad,Siti Hajar Musa,Rauzah Hashim,Tharwat F. Tadros,Mahiran Basri RSC Adv. 2016 6 6234
147657-22-5 (Calcipotriol monohydrate) Related Products
- 112828-00-9(Calcipotriol)
- 120336-94-9(9,10-Secochola-5,7,10(19)-triene-1,3-diol,24-cyclopropyl-, (1a,3b,5Z,7E)- (9CI))
- 104870-37-3(9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,25,28-tetrol,(1a,3b,5Z,7E,22E)- (9CI))
- 60133-18-8(Ercalcitriol)
- 93129-94-3(Tacalcitol monohydrate)
- 112965-21-6(Calcipotriol)
- 154524-43-3(1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3S,4S)-4-cyclopropyl-3,4-dihydroxy-1-methylbutyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-)
- 57333-96-7(Tacalcitol)
- 104211-73-6(9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,25-triol,24-methyl-, (1a,3b,5Z,7E,22E)- (9CI))
- 154530-28-6(1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,3R,4S)-4-cyclopropyl-3,4-dihydroxy-1-methylbutyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-)
Recommended suppliers
Amadis Chemical Company Limited
(CAS:147657-22-5)Calcipotriol monohydrate
Purity:99%/99%
Quantity:50mg/100mg
Price ($):439.0/677.0