Name: Eravacycline-[d3]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015050

Molecular Formula: C27H28D3FN4O8

Molecular Weight: 561.58

Chemical Structure

Description	Eravacycline-[d3] is a deuterium labelled form of Elavacycline. Elavacycline is a synthetic halogenated tetracycline class antibiotic with a wide range of activities, including many multi-resistant strains of bacteria.
Synonyms	(4S,4aS,5aR,12aS)-7-Fluoro-3,10,12,12a-tetrahydroxy-4-(methyl(methyl-d3)amino)-1,11-dioxo-9-(2-(pyrrolidin-1-yl)acetamido)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; Eravacycline d3; N-[(5aR,6aS,7S,10aS)-9-(Aminocarbonyl)-7-(dimethylamino)-4-fluoro-5,5a,6,6a,7,10,10a,12-octahydro-1,8,10a,11-tetrahydroxy-10,12-dioxo-2-naphthacenyl]-1-pyrrolidineacetamide-d3; Eravacycline-d3; TP-434-d3; Xerava-d3
IUPAC Name	(4S,4aS,5aR,12aR)-4-(methyl(methyl-d3)amino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Related CAS	1207283-85-9 (unlabelled)
Canonical SMILES	O=C(C1=C(O)[C@@H](N(C)C([2H])([2H])[2H])[C@@](C[C@@]2([H])C(C(C3=C(O)C(NC(CN4CCCC4)=O)=CC(F)=C3C2)=O)=C5O)([H])[C@@]5(O)C1=O)N
InChI	InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34,36-37,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1/i1D3
InChI Key	HLFSMUUOKPBTSM-QBTMSECRSA-N
Purity	>95%
Storage	Store at 2-8 °C