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Vitamin A-d4

CAT: 0804-HY-B1342S2Size: 1 mgDry Ice: YesHazardous: No
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CAT#:0804-HY-B1342S2Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118063-12-0
UNSPSC Description
Vitamin A-d4 (Vitamin A1-d4; all-trans-Retinol-d4) is the deuterium labeled Vitamin A. Vitamin A is an endogenous metabolite.
Target Antigen
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
98.0
Solubility
10 mM in DMSO
Smiles
C(=C/C(=C(/C=C/C(=C/CO)/C)\[2H])/C([2H])([2H])[2H])\C=1C(C)(C)CCCC1C
Molecular Weight
290.48
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. |[2]Zhang M, et al. High-fat diet enhanced retinal dehydrogenase activity, but suppressed retinol dehydrogenase activity in liver of rats. J Pharmacol Sci. 2015 Apr;127(4):430-8.|[3]Miyazaki H, et al. Retinol status and expression of retinol-related proteins in methionine-choline deficient rats. J Nutr Sci Vitaminol (Tokyo). 2014;60(2):78-85.
Shipping Conditions
Dry Ice
Storage Conditions
-80°C, protect from light, stored under nitrogen
Clinical Information
No Development Reported

Chemical Information

Retinol-d4
CAS Number118063-12-0
PubChem CID163196490
IUPAC Name(2E,4E,6E,8E)-6-deuterio-3-methyl-7-(trideuteriomethyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
Molecular FormulaC20H30O
Molecular Weight290.5
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity496
SMILES
[2H]\C(=C(/C=C/C1=C(CCCC1(C)C)C)\C([2H])([2H])[2H])\C=C\C(=C\CO)\C
InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+/i1D3,8D
InChIKey
FPIPGXGPPPQFEQ-HCDHHJNFSA-N
Chemical Structure
2D Structure
2D structure of Retinol-d4
CAS: 118063-12-0
CID: 163196490
Formula: C20H30O
MW: 290.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass290.254772560
Monoisotopic Mass290.254772560
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity496
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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