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Tiamulin-[13C4] Fumarate

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General Information
Catalog: BLP-014827
Molecular Formula: C28[13C]4H51NO8S
Molecular Weight: 613.78

Chemical Structure

Description	Tiamulin-[13C4] Fumarate is an isotope labelled compound of Tiamulin Fumarate, a derivative of Pleuromutilin with antibacterial activity.
Synonyms	(3aS,4R,5S,6S,8R,9S,9aR,10R)-2-[[2-(Diethylamino-13C4)ethyl]thio]acetic Acid 6-Ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl Ester (2E)-2-butenedioate; Denagard-13C4; Dynamutilin-13C4; Tiamutin-13C4; Tiavet-13C4
IUPAC Name	(E)-but-2-enedioic acid;[(1R,2R,3S,4S,6R,7R,8R,14S)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[di((1,2-13C2)ethyl)amino]ethylsulfanyl]acetate
Related CAS	55297-96-6 (unlabelled)
Canonical SMILES	CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20-,22+,24-,25-,26+,27-,28+;/m0./s1/i2+1,3+1,9+1,10+1;
InChI Key	YXQXDXAHCSEVSD-DLTAUQBXSA-N
Purity	98.85%; 98.5% atom 13C
Solubility	Ethanol (Slightly ,Sonicated) ,Methanol (Slightly) ,Water (Slightly)
Appearance	Off-white to Light Yellow Solid
Storage	-20°C ,Hygroscopic