MedKoo Cat#: 562855 | Name: Atocalcitol
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Atocalcitol is a vitamin D analogue. It also acts as an alcitriol receptor agonist.

Chemical Structure

Atocalcitol
Atocalcitol
CAS#302904-82-1

Theoretical Analysis

MedKoo Cat#: 562855

Name: Atocalcitol

CAS#: 302904-82-1

Chemical Formula: C32H46O4

Exact Mass: 494.3396

Molecular Weight: 494.71

Elemental Analysis: C, 77.69; H, 9.37; O, 12.94

Price and Availability

Size Price Availability Quantity
1mg USD 1,250.00 2 Weeks
5mg USD 3,650.00 2 Weeks
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Related CAS #
No Data
Synonym
Atocalcitol;
IUPAC/Chemical Name
(1R,3S,Z)-5-(2-((3aS,7aR,E)-1-((R)-1-((3-(2-hydroxypropan-2-yl)benzyl)oxy)propan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
InChi Key
CFIFSLBCJAXYTC-PWMMASGSSA-N
InChi Code
InChI=1S/C32H46O4/c1-21(19-36-20-23-8-6-10-26(16-23)31(3,4)35)28-13-14-29-24(9-7-15-32(28,29)5)11-12-25-17-27(33)18-30(34)22(25)2/h6,8,10-12,16,21,27-30,33-35H,2,7,9,13-15,17-20H2,1,3-5H3/b24-11+,25-12-/t21-,27+,28?,29-,30-,32+/m0/s1
SMILES Code
O[C@H]1C[C@H](O)C(/C(C1)=C\C=C2[C@H](CCC3[C@@H](C)COCC4=CC(C(C)(O)C)=CC=C4)[C@]3(C)CCC\2)=C
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Certificate of Analysis
Safety Data Sheet (SDS)

Preparing Stock Solutions

The following data is based on the product molecular weight 494.71 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL