Tacalcitol monohydrate

Base Information

• Chemical Name: Tacalcitol monohydrate
• CAS No.: 93129-94-3
• Molecular Formula: C27H44 O3 . H2 O
• Molecular Weight: 434.66
• European Community (EC) Number: 871-018-1
• UNII: B3Q63NVN9R
• Wikidata: Q27274319
• Mol file: 93129-94-3.mol

Synonyms:TACALCITOL MONOHYDRATE;93129-94-3;UNII-B3Q63NVN9R;B3Q63NVN9R;(+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol monohydrate;(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate;Tacalcitol hydrate;Curatoderm (TN);Bonalfa high (TN);Tacalcitol hydrate (JP17);SCHEMBL1376069;TACALCITOL HYDRATE [JAN];Tacalcitol for system suitability;TACALCITOL MONOHYDRATE [WHO-DD];PD143597;TACALCITOL MONOHYDRATE [EP MONOGRAPH];D01472;Q27274319;(+)-(5Z,7E,24R)-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.,24-TRIOL MONOHYDRATE

Chemical Property of Tacalcitol monohydrate

Chemical Property:

• Vapor Pressure: 4.05E-15mmHg at 25°C
• Boiling Point: 565°Cat760mmHg
• Flash Point: 238.4°C
• PSA: 69.92000
• Density: 1.06g/cm³
• LogP: 5.49630
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 434.33960994
• Heavy Atom Count: 31
• Complexity: 676

Purity/Quality:

98% ^*data from raw suppliers

TacalcitolMonohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O.O
• Isomeric SMILES: C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C.O
• Recent NIPH Clinical Trials: None
• Description: Vitamin D aids in the absorption of calcium and has central roles in bone formation and maintenance, hypertension, cancer, and immunity. In addition, the active form of vitamin D, 1,25-dihydroxy vitamin D3, decreases the proliferation and increases differentiation of keratinocytes. 1,24-dihydroxy Vitamin D3 is an analog of 1,25-dihydroxy vitamin D3 which, when used in a 4 μg/g ointment, safely and effectively suppresses psoriasis. It also is effective at increasing the time interval between phototherapy cycles when ultraviolet light is used for psoriasis. 1,24-dihydroxy Vitamin D3 inhibits the growth of both normal and psoriatic human keratinocytes (IC50 ~ 10 nM) via the vitamin D receptor. It also suppresses the production of RANTES and IL-8 by human dermal fibroblasts and reduces cutaneous lymphocyte-associated antigen on CD4+ T cells, impairing migration and skin infiltration.