Products 1110-80-1

CAS 1110-80-1 is the registry number for Pipacycline. Offered by: TRC, GLPBio. Available pack sizes: 50mg, 25mg, 5mg.

Structural formula: {0} (CAS {1})

Pipacycline is tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group. It has a role as an antimicrobial agent. It is a tertiary alpha-hydroxy ketone, a member of tetracyclines and a N-alkylpiperazine. It is a conjugate base of a pipacycline(1+).

Source: ChEBI

Identity
Molecular formulaC29H38N4O9
Molecular weight586.6 g/mol
IUPAC name(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
InChIKeyRAUQZDNDLCIQFJ-REHNUXHNSA-N
SMILESC[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCN(CC5)CCO)N(C)C)O

Computed by PubChem (NCBI)