Cas no 55721-11-4 (Secalciferol)

Secalciferol structure
Secalciferol structure
Product Name:Secalciferol
CAS No:55721-11-4
MF:C27H44O3
MW:416.636468887329
MDL:MFCD00941417
CID:56821
PubChem ID:57647691
Update Time:2025-04-18

Secalciferol Chemical and Physical Properties

Names and Identifiers

    • Secalciferol
    • 24R,25R-dihydroxycholecalciferol
    • (24r)-hydroxycalcidiol (3-beta,5z,7e,24r)-9,10-secocholesta-5,7,10(19)-triene-3,24,25-triol
    • 24(r),25-dihydroxycholecalciferol
    • 7,10(19)-triene-3,24,25-triol,(3-beta,5z,7e,24r)-10-secocholesta-5
    • k-dr
    • osteod
    • ro21-5816
    • (3R,6R)-6-[(1R,3aR,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3-diol
    • (24R)-24,25-Dihydroxyvitamin D3
    • (24R)-,24,25-Dihydroxycholecalciferol
    • (24R)-24,25-Dihydroxycholecalciferol
    • Secalciferolum
    • CS-0929
    • 24,25-dihydroxyvitamin D3
    • 24,25 Dihydroxyvitamin D3
    • Osteo D
    • UNII-460029IUDA
    • 24r,25-Dihydroxycholecalciferol
    • 24(R),25-Dihydroxyvitamin D3
    • DTXSID4021260
    • SCHEMBL3597
    • Secalciferol (JAN/USAN/INN)
    • LMST03020273
    • (3S,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-3,24,25-triol
    • HY-32343
    • Q27103914
    • 460029IUDA
    • C07712
    • FCKJYANJHNLEEP-XRWYNYHCSA-N
    • NCGC00161328-03
    • 24R,25-Dihydroxyvitamin D3 (Secalciferol)
    • 24R,25-Dihydroxyvitamin D3
    • SECALCIFEROL [USAN]
    • (24R)-24,25-Dihydroxyvitamin D3, >=98% (vitamin + pre-vitamin, HPLC)
    • (5Z,7E)-(3S,24R)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol
    • Osteo D (TN)
    • SECALCIFEROL [JAN]
    • HMS1989G11
    • 24R,25(OH)2D3
    • (3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,3-diol
    • 2,3-HEPTANEDIOL, 2-METHYL-6-((1R,3AS,4E,7AR)-OCTAHYDRO-4-((2Z)-2-((5S)-5-HYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYL-1H-INDEN-1-YL)-, (3R,6R)-
    • CHEMBL1590076
    • MS-27261
    • HMS3402G11
    • 9,10-Secocholesta-5,7,10-triene-3,24,25-triol, (3S,5Z,7E,24R)-
    • D00628
    • BML2-E04
    • 24, 25-DIHYDROXYCHOLECALCIFEROL
    • SECALCIFEROL [INN]
    • Ro 21-5816
    • HMS1361G11
    • (3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol
    • AKOS025312292
    • IDI1_033879
    • CHEBI:28818
    • MFCD00941417
    • 24(r),25-(oh)2d3
    • (5Z,7E,24R)-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-3B,24,25-TRIOL
    • 55721-11-4
    • CHEBI:108603
    • NCGC00161328-01
    • HMS1791G11
    • (24R)-24,25-dihydroxyvitamin D3 / (24R)-24,25-dihydroxycholecalciferol
    • (24R)-Hydroxycalcidiol
    • BSPBio_001409
    • (3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
    • (24R),25-Dihydroxyvitamin D3
    • Secalciferolum [INN-Latin]
    • (5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-3beta,24,25-triol
    • CCRIS 8678
    • 9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol, (3beta,5Z,7E,24R)-
    • Secalciferol [USAN:INN:BAN]
    • KBio2_005265
    • (24R)-24,25-Dihydroxy-vitamin D3
    • Bio1_000593
    • Bio1_001082
    • Bio2_000609
    • Bio1_000104
    • KBio2_002697
    • CBiol_001818
    • KBio3_000258
    • Bio2_000129
    • Q27187524
    • (3R,6R)-6-[(1R,3aS,7aR)-4-[2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
    • (3R,6R)-6-((3aS,7aR,E)-4-((E)-2-((S)-5-hydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-2-methylheptane-2,3-diol
    • KBioSS_000129
    • KBioGR_000129
    • KBio3_000257
    • KBio2_000129
    • (24R)-24,25-dihydroxycalciol
    • BRD-K02965577-001-03-4
    • MDL: MFCD00941417
    • Inchi: 1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1
    • InChI Key: FCKJYANJHNLEEP-XRWYNYHCSA-N
    • SMILES: O[C@@H](C(C)(C)O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C(=C)CC[C@@H](C\3)O)/CCC[C@]12C

Computed Properties

  • Exact Mass: 416.32900
  • Monoisotopic Mass: 416.329
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 688
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 5
  • Topological Polar Surface Area: 60.7A^2

Experimental Properties

  • Density: 1.0362 (rough estimate)
  • Melting Point: 63-65°C
  • Boiling Point: 474.91°C (rough estimate)
  • Flash Point: 241.5 oC
  • Refractive Index: 1.4700 (estimate)
  • PSA: 60.69000
  • LogP: 5.70470

Secalciferol Security Information

  • Symbol: GHS06 GHS08
  • Signal Word:Danger
  • Hazard Statement: H301 + H311-H330-H372
  • Warning Statement: P260-P280-P284-P301+P310-P310
  • Hazardous Material transportation number:UN 2811
  • WGK Germany:3
  • Hazard Category Code: 28
  • Safety Instruction: S28-S36/37-S45
  • RTECS:VS2895000
  • Hazardous Material Identification: T+
  • HazardClass:6.1
  • PackingGroup:
  • Storage Condition:4°C, protect from light, stored under nitrogen
  • Safety Term:S28;S36/37;S45
  • Risk Phrases:R28

Secalciferol Pricemore >>

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abcr
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Secalciferol Production Method

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