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1255644-48-4

1255644-48-4 Structure

1255644-48-4 Structure
IdentificationBack Directory
[Name]

Elainic acid-1,2,3,7,8-13C5
[CAS]

1255644-48-4
[Synonyms]

Oleic Acid-13C5
Oleic acid-1,2,3,7,8-13C5
Elainic acid-1,2,3,7,8-13C5
Oleic acid-[13C5] (Solution)
cis-9-Octadecenoic acid-1,2,3,7,8-13C5
[Molecular Formula]

C18H34O2
[MDL Number]

MFCD19443637
[MOL File]

1255644-48-4.mol
[Molecular Weight]

287.506
Chemical PropertiesBack Directory
[Melting point ]

42-44°C (lit.)
[Boiling point ]

194-195°C/1.2mmHg (lit.)
[density ]

0.910 g/mL at 25 °C(lit.)
[storage temp. ]

-20°C
[solubility ]

Chloroform: soluble,DMF: >100mg/mL,DMSO: >100mg/mL,Ethanol: >100mg/mL,PBS (pH 7.2): <100ug/mL
[form ]

solid
[InChI]

1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+/i11+1,12+1,16+1,17+1,18+1
[InChIKey]

ZQPPMHVWECSIRJ-CLWZAQNKSA-N
[SMILES]

CCCCCCCC\C=C\[13CH2][13CH2]CCC[13CH2][13CH2][13C](O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362
[Hazard Codes ]

Xi
[Risk Statements ]

38
[WGK Germany ]

WGK 1
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Octadec-9-enoic acid-13C5 is a deuterated labeled Octadec-9-enoic acid-13C5[1].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
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