Cas no 93129-94-3 (Tacalcitol monohydrate)

Tacalcitol monohydrate structure
Tacalcitol monohydrate structure
Product Name:Tacalcitol monohydrate
CAS No:93129-94-3
MF:C27H46O4
MW:434.651749134064
CID:61609
PubChem ID:9910819
Update Time:2024-10-26

Tacalcitol monohydrate Chemical and Physical Properties

Names and Identifiers

    • Tacalcitol monohydrate
    • 1-alpha,24(R)-Dihydroxyvitamin D3 monohydrate
    • 1,24(R)-Dihydroxyvitamin D3 monohydrate
    • Tacalcitol Monohydra
    • 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, monohydrate, (1α,3β,5Z,7E,24R)- (9CI)
    • 1α,24(R)-Dihydroxy-vitamin D3 monohydrate
    • 1α,24(R)-Dihydroxycholecalciferol monohydrate
    • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, hydrate , (1R,3S,5Z)
    • (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 (JP17)
    • Curatoderm (TN)
    • B3Q63NVN9R
    • TACALCITOL HYDRATE [JAN]
    • 1,24(R)-Dihydroxyvitamin D3, monohydrate
    • Bonalfa high
    • (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol monohydrate
    • PD143597
    • Bonalfa high (TN)
    • 93129-94-3
    • Tacalcitol for system suitability
    • Q27274319
    • TACALCITOL MONOHYDRATE (EP MONOGRAPH)
    • SCHEMBL1376069
    • TACALCITOL MONOHYDRATE [EP MONOGRAPH]
    • AKOS030527012
    • (1R,3S)-5-[2-[(1R,3aR,7aS)-1-[(2R,5S)-5-hydroxy-6-Methyl-heptan-2-yl]-7a-Methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-Methylidene-cyclohexane-1,3-diol
    • (+)-(5Z,7E,24R)-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.,24-TRIOL MONOHYDRATE
    • Tacalcitol hydrate
    • UNII-B3Q63NVN9R
    • (1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol monohydrate
    • D01472
    • TACALCITOL MONOHYDRATE [WHO-DD]
    • DA-58235
    • Inchi: 1S/C27H44O3.H2O/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4;/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3;1H2/b20-9+,21-10-;/t18-,22-,23-,24+,25-,26+,27-;/m1./s1
    • InChI Key: UCLYOJXQGOXQKJ-XXBHHXRKSA-N
    • SMILES: C[C@@]12[C@@H]([C@H](C)CC[C@@H](O)C(C)C)CC[C@H]1/C(/CCC2)=C/C=C1/C[C@@H](O)C[C@H](O)C/1=C.O

Computed Properties

  • Exact Mass: 434.34
  • Monoisotopic Mass: 434.34
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 6
  • Complexity: 676
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 61.7A^2

Experimental Properties

  • Density: 1.06
  • Boiling Point: 565°Cat760mmHg
  • Flash Point: 238.4°C

Tacalcitol monohydrate Security Information

  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

Tacalcitol monohydrate Pricemore >>

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Tacalcitol monohydrate Production Method

Production Method 1

Reaction Conditions
Reference
Process Development of Tacalcitol
Lee, Seung Jong; Moon, Hyung Wook; Lee, Kee-Young; Oh, Chang Young; Kim, U. Bin; et al, Organic Process Research & Development, 2021, 25(4), 982-987

Production Method 2

Reaction Conditions
Reference
Method for manufacture of high-purity 1α,24(R)-dihydroxycholecalcipherol monohydrate
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Tacalcitol monohydrate Preparation Products

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