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Screening compounds

Eldecalcitol

Also known as Edirol, 2-(3-Hydroxypropoxy)calcitriol, 2-(3-Hydroxypropoxy)-1,25-dihydroxyvitamin D3

CAS 104121-92-8Formula C30H50O5Molar mass 490.73 g/mol
15 suppliers listed
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Eldecalcitol chemical structure, C30H50O5, CAS 104121-92-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104121-92-8
Formula
C30H50O5
Molar mass
490.73 g/mol
HS code
290949
Category
Screening compounds

What is Eldecalcitol?

Plain description, key identifiers and synonyms

1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 is a hydroxycalciol that is calcitriol with a 3-hydroxypropoxy group at position 2. It has a role as a metabolite. It is a tetrol, a hydroxycalciol and a member of D3 vitamins. It is functionally related to a calcitriol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,3R,5Z)-5-[(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]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
CAS number
104121-92-8 CAS number cross-checked
Molecular formula
C30H50O5
UNII
I2JP8UE90H
MDL number
MFCD25977156
InChIKey
FZEXGDDBXLBRTD-AYIMTCTASA-N
InChI
InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1
Canonical SMILES
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)C(OCCCO)C1O
Isomeric SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C

Synonyms

  • Edirol
  • 2-(3-Hydroxypropoxy)calcitriol
  • 2-(3-Hydroxypropoxy)-1,25-dihydroxyvitamin D3
  • 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3
  • 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)cholecalciferol
  • (5Z,7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • eldecalcitolum
  • 20-epi-ED-71
  • 20-epi-1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3
  • (5Z,7E)-2Beta-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol
  • ED 71
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, 2-(3-hydroxypropoxy)-, (1alpha,2beta,3beta,5Z,7E)-
  • (1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-Hydroxypropoxy)-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol
  • 2beta-(3-hydroxypropoxy)calcitriol
  • Edirol (TN)
  • Eldecalcitol (Standard)
  • Eldecalcitol (JAN/INN)
  • 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)-cholecalciferol
  • (1R,2R,3R,5Z,7E)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
  • 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)cholecalciferol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
490.73 g/molcalc.
Exact mass
490.3658 Dacalc.
LogP (octanol/water)
5.08calc.
Topological polar surface area
90.15 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
10calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1CCCCC1=CC=C1CCCC2CCCC12

C=C1CCCCC1=CC=C1CCCC2CCCC12

3 rings, 18 atoms.

569 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Eldecalcitol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 15 suppliers
15 of 15 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

15 suppliers in 4 countries

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Eldecalcitol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Bone Density Conservation Agents

Roles

  • bone density conservation agent
  • metabolite
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Eldecalcitol is traded under.

HS 2909.49Indicative HS code

Ether-alcohols and their halogenated not elsewhere classified in subheading 2909.4

World exports in 2024
$1.74B
+6.8% vs 2023, imports $1.86B
2019 to 2024
Top exporters
  1. Germany20.6%
  2. China13.9%
  3. Netherlands12.2%
Top importers
  1. China8.8%
  2. Germany8.3%
  3. United States7.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Eldecalcitol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Eldecalcitol, based on the data on this page

What is Eldecalcitol?

1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 is a hydroxycalciol that is calcitriol with a 3-hydroxypropoxy group at position 2. It has a role as a metabolite. It is a tetrol, a hydroxycalciol and a member of D3 vitamins. It is functionally related to a calcitriol.

What is the CAS number of Eldecalcitol?

The CAS registry number of Eldecalcitol is 104121-92-8.

What is the molecular formula and weight of Eldecalcitol?

The molecular formula of Eldecalcitol is C30H50O5 and its molar mass is 490.73 g/mol.

What is Eldecalcitol used for?

Known uses and roles of Eldecalcitol include building blocks in research and laboratory, screening compounds in research and laboratory, bone density conservation agent, metabolite, pharmaceutical and 1 more.

Is Eldecalcitol hazardous?

No GHS hazard classification for Eldecalcitol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Eldecalcitol?

Eldecalcitol is usually classified under HS code 290949 (Ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Eldecalcitol?

CompoundList lists 15 suppliers of Eldecalcitol in China, Japan, India and South Korea. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Eldecalcitol in India?

1 supplier in India list Eldecalcitol on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Eldecalcitol?

Suppliers quote Eldecalcitol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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