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Lactoyl-CoA Venetoclax Cryptolepine 10001-82-8 Cefepime Impurity A
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  2. 19356-17-3
Calcifediol | 19356-17-3

Product name：Calcifediol

CAS No：19356-17-3
MF：C27H44O2
MW：400.6371
MDL：MFCD00867077
CID：93468
PubChem ID：24895612
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Introduction
Calcifediol (25 hydroxyvitamin D3) is a prohormone obtained by hydroxylation of vitamin D3 in the liver. It is an effective VDR inhibitor
Names and Identifiers
  • CALCIDIOL
  • CALCIFEDIOL MONOHYDRATE
  • 25-OH-D3
  • 25-HYDROXYVITAMIN D3
  • 25-hydroxyvitamin d3 monohydrate
  • 25-hydroxycholecalciferol monohydrate
  • (5z,7e)-9,10-secocholesta-5,7,10(19)-triene-3b,25-diol monohydrate
  • CALCIFEDIOL 1-HYDRATE
  • 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate, (3.beta.,5Z,7E)-
  • 25-Hydroxycholecalciferol
  • calcifediol
  • Vitamin D3, 25-Hydroxy-
  • 25-Hydroxy-vitamin D3 monohydrate
  • (3beta,5Z,7E)-9,10-secocholestan-5,7,10(19)-triene-3,25-diol
  • Vitamin D3 25-
  • (3b,5Z,7E)- 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol
  • 25-Hydroxyvitamin D3 solution
  • 25HydroxyvitaminD3
  • 25-Hydroxyvitamin-D3-[2H3]
  • Calcidiol,Didrogyl,Hidroferol
  • Calcifediol,(εR,1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-α,α,ε,7a-tetramethyl-1H-indene-1-pentanol
  • Vitamin D3 25 Calcifediol
  • 25-Hydroxycholecalciferol solution
  • Didrogyl
  • U-32070E
  • Ro 8-8892
  • Hidroferol
  • Rovimix Hy-D
  • Calcifediol anhydrous
  • Calcifediol, >=98%
  • 25-Hydroxyvitamin D
  • Calcifediolum
  • Calderol
  • Rayaldee
  • Cholecalciferol, 25-hydroxy-
  • Calcifidiol
  • Delakmin
  • Dedrogyl
  • T0WXW8F54E
  • Calcifediolum [INN-Latin]
  • 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLE
  • 25-hydroxy Vitamin D3
  • 25-Hydroxyvitamin D3
  • Calcifediol
  • (5Z,7E)-9,10-Seco-5,7,10(19)-cholestatrien-3beta,25-diol
  • U 32070E
  • CCG-268657
  • MFCD00867077
  • BCP9000472
  • (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol
  • CALCIFEDIOL,ANHYDROUS
  • SR-05000001468
  • NCGC00161326-01
  • 25-hydroxyvitamin D3 / 25-hydroxycholecalciferol / calcidiol
  • (3S,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
  • Calcidiol
  • Calcifediol, European Pharmacopoeia (EP) Reference Standard
  • (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3b,25-diol monohydrate
  • AMY2863
  • (S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol
  • AKOS015965097
  • DB00146
  • B91135EC-8937-4D8B-A533-CCD82F33C1B0
  • AB01275461_02
  • CHEBI:17933
  • CS-0800
  • DTXSID0022721
  • s1469
  • CHEBI:94743
  • 25-Hydroxy vitamin D3
  • EINECS 242-990-9
  • 25(OH)D3
  • 25-hydroxy-cholecalciferol
  • HMS1791G13
  • 5,6-cis-25-Hydroxyvitamin D3
  • CALCIFEDIOL, ANHYDROUS
  • 25-(OH)Vitamin D3
  • Hy-D
  • CALCIFEDIOL,ANHYDROUS [VANDF]
  • EN300-7413489
  • 1H-Indene-1-pentanol, octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-.alpha.,.alpha.,.epsilon.,7a-tetramethyl-, (.epsilon.R,1R,3aS,4E,7aR)-
  • HY-32351
  • (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
  • BRD-K77175907-001-01-5
  • 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
  • C01561
  • Spectrum5_001931
  • (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
  • U 32070 E
  • (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
  • (3S,5Z,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-3,25-diol
  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
  • UNII-T0WXW8F54E
  • DM100
  • 64719-49-9
  • AC-31367
  • HMS1361G13
  • NCGC00161326-04
  • GTPL6921
  • Q139307
  • Calcifediol, United States Pharmacopeia (USP) Reference Standard
  • 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3beta,5Z,7E)-
  • W-201718
  • 9,10-Secocholesta-5,7,10(19)-triene-3b,25-diol
  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
  • IDI1_033881
  • 25-Hydroxyvitamin D3 monohydrate, >=99.0% (HPLC)
  • BSPBio_001411
  • HMS3402G13
  • Vitamin D, 25-hydroxy-
  • SCHEMBL3296
  • HMS2089L21
  • (?R,1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-?,?,?,7a-tetramethyl-1H-indene-1-pentanol
  • BCPP000306
  • 25-hydroxyvitamin D3
  • BDBM50521013
  • 9,10-Secocholesta-5,7,10(19)-triene-1,25-diol, (3.beta,.5Z,7E)-
  • LMST03020246
  • 5,6-trans-25-Hydroxycholescalciferol
  • 5,6-trans-9,10-Seco-5,7,10(19)-cholestatrien-3beta,25-diol
  • 25-Hydroxycholecalciferol, >=98% (HPLC)
  • (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
  • NS00026306
  • BML2-E02
  • 19356-17-3
  • 25-Hydroxycholescalciferol
  • SR-05000001468-1
  • Ryaldee
  • JWUBBDSIWDLEOM-DTOXIADCSA-N
  • AB01275461-01
  • HMS1989G13
  • CHEMBL1040
  • A923587
  • CALCIFEDIOL [MI]
  • Calcifediol [INN]
  • (S,Z)-3-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexanol
  • KBio2_000131
  • KBio2_005267
  • (1S)-3-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • Bio2_000611
  • (1S)-3-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • KBioGR_000131
  • Bio1_001078
  • CBiol_001814
  • KBioSS_000131
  • (1S,3Z)-3-[(2E)-2-[(3As,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • KBio3_000261
  • KBio3_000262
  • Bio2_000131
  • Bio1_000100
  • Q27166533
  • KBio2_002699
  • Bio1_000589
  • calcidiol
  • 25-hydroxycholecalciferol
  • MDL：MFCD00867077
  • InChIKey：JWUBBDSIWDLEOM-DTOXIADCSA-N
  • Inchi：1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
  • SMILES：O([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])/C(=C(\[H])/C(/[H])=C3\C(=C([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C\3([H])[H])O[H])/C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 400.33400
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 6
  • Monoisotopic Mass: 400.334
  • Heavy Atom Count: 29
  • Complexity: 655
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 6.2
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • LogP: 6.73390
  • PSA: 40.46000
  • Boiling Point: 529.2℃ at 760 mmHg
  • Melting Point: 74-76oC
  • Flash Point: Fahrenheit: 57.2 ° f
    Celsius: 14 ° c
  • Color/Form: 100 μg/mL in ethanol
  • Color/Form: Uncertain
  • Solubility: Uncertain
  • Density: 1.01
Security Information
  • Symbol: GHS02
  • WGK Germany：1
  • Safety Instruction：28-36/37-45
  • Risk Phrases：R28
  • ป้ายอันตราย： T+ T+
  • Hazardous Material transportation number：UN 2811 6
  • Hazard Statement：H225
  • Warning Statement：P210
  • Storage Condition：4°C, protect from light, stored under nitrogen
  • PackingGroup：Ⅱ
  • Hazard Category Code：11
  • Signal Word：Danger
  • HazardClass：6.1
  • FLUKA BRAND F CODES：8-10-19
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