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201612-61-5

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201612-61-5 Structure

201612-61-5 Structure
IdentificationBack Directory
[Name]

SODIUM OCTANOATE-1-13C
[CAS]

201612-61-5
[Synonyms]

Sodium Octoate-1-13C
Sodium Octanoate-13C
Sodium caprylate-1-13C
SODIUM OCTANOATE-1-13C
13C Labeled sodium octanoate
octanoic acid-1-13c sodium salt
Octanoic-1-13C acid sodium salt
SODIUM OCTANOATE-1-13C, 99 ATOM % 13C
Octanoic-1-13C acid sodium salt
[Molecular Formula]

C8H15NaO2
[MDL Number]

MFCD00084072
[MOL File]

201612-61-5.mol
[Molecular Weight]

167.2
Chemical PropertiesBack Directory
[Melting point ]

>300 °C(lit.)
[storage temp. ]

Store at -20°C
[form ]

solid
[InChI]

1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1/i8+1;
[InChIKey]

BYKRNSHANADUFY-IYWRZBIASA-M
[SMILES]

[Na+].CCCCCCC[13C]([O-])=O
[CAS Number Unlabeled]

01/06/1984
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H412
[Precautionary statements ]

P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
[WGK Germany ]

3
[HS Code ]

28459000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

Solid
[Uses]

Octanoate-13C (sodium) is a 13C-labeled Fmoc-Gly-OH[1].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223. DOI:10.1080/02688697.2018.1500521
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