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133954-44-6

133954-44-6 Structure

133954-44-6 Structure
IdentificationBack Directory
[Name]

ADIPIC-1,6-13C2 ACID
[CAS]

133954-44-6
[Synonyms]

ADIPIC-1,6-13C2 ACID
adipic acid-1,6-13c2
hexanedioc acid-13c2
ADIPIC-1,6-13C2 ACID, 99 ATOM % 13C
[Molecular Formula]

C6H10O4
[MDL Number]

MFCD00083986
[MOL File]

133954-44-6.mol
[Molecular Weight]

148.16
Chemical PropertiesBack Directory
[Melting point ]

151-154 °C(lit.)
[Boiling point ]

265 °C100 mm Hg(lit.)
[Fp ]

385 °F
[form ]

solid
[InChI]

1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i5+1,6+1
[InChIKey]

WNLRTRBMVRJNCN-MPOCSFTDSA-N
[SMILES]

O[13C](=O)CCCC[13C](O)=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/22-36
[Safety Statements ]

26-36-37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Hazard InformationBack Directory
[Uses]

Adipic acid-13C2 is 13C labeled Adipic acid. Adipic acid is found to be associated with HMG-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism.
[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
133954-44-6 suppliers list
Company Name: Merck KGaA  
Telephone: 21-20338288
Website: www.sigmaaldrich.cn
Company Name: Guangzhou WeiBo Chemical Co., Ltd.  
Telephone: 020-36393398
Website: www.weibochem.com
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