18:1-12:0 Biotin PC

Catalog NumberBL-M000354
CAS Number2260669-99-4
DescriptionBiotin PC, a compound with the molecular formula 18:1-12:0, is a vital component in the pharmacological treatment of various dermatological, metabolic, and nutritional ailments. Its multifaceted role in promoting dermal, epidermal, and nail health underscores its indispensable value in the pharmaceutical and nutraceutical industries.
IUPAC Name[(2R)-2-[12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Synonyms1-oleoyl-2-[12-biotinyl(aminododecanoyl)]-sn-glycero-3-phosphocholine; 1-(9Z-octadecenoyl)-2-[12-biotinyl(aminododecanoyl)]-sn-glycero-3-phosphocholine; (2R)-3-[(9Z)-9-Octadecenoyloxy]-2-{[12-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)dodecanoyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate; Ethanaminium, 2-[[[(2R)-2-[[12-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxododecyl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt
Molecular Weight945.28
Molecular FormulaC48H89N4O10PS
Purity>99%
SolubilitySoluble in Chloroform
AppearancePowder; Chloroform
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 60.99%, H 9.49%, N 5.93%, O 16.93%, P 3.28%, S 3.39%
Canonical SMILESCCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2
InChIInChI=1S/C48H89N4O10PS/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-33-45(54)59-38-41(39-61-63(57,58)60-37-36-52(2,3)4)62-46(55)34-27-24-21-18-16-19-22-25-30-35-49-44(53)32-29-28-31-43-47-42(40-64-43)50-48(56)51-47/h12-13,41-43,47H,5-11,14-40H2,1-4H3,(H3-,49,50,51,53,56,57,58)/b13-12-/t41-,42+,43+,47+/m1/s1
InChI KeyANVUOOKUJFVAPJ-KKWOEEAUSA-N

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