Products 1242076-45-4

CAS 1242076-45-4 is the registry number for 20, 21-Didehydro Rifabutin. Offered by: TRC. Available pack sizes: 10mg, 1mg, 2,5mg.

20, 21-Didehydro Rifabutin
TRC
  • size: 10mg, 1mg, 2,5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

[(7S,9Z,11S,12R,13S,14R,15S,16S,17E,19Z,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,17,19,21,24,26,30-decaene-28,4'-piperidine]-13-yl] acetate (CAS 1242076-45-4) is a chemical compound with the molecular formula C46H60N4O11 and a molecular weight of 845.0 g/mol. IUPAC name: [(7S,9Z,11S,12R,13S,14R,15S,16S,17E,19Z,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,17,19,21,24,26,30-decaene-28,4'-piperidine]-13-yl] acetate. InChIKey: CBQIWZYYYHTXAJ-QNXHXKROSA-N.

Identity
Molecular formulaC46H60N4O11
Molecular weight845.0 g/mol
IUPAC name[(7S,9Z,11S,12R,13S,14R,15S,16S,17E,19Z,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,17,19,21,24,26,30-decaene-28,4'-piperidine]-13-yl] acetate
InChIKeyCBQIWZYYYHTXAJ-QNXHXKROSA-N
SMILESC[C@@H]1[C@H](/C=C\O[C@@]2(C(=O)C3=C(O2)C(=C(C4=C(C(=NC(=O)/C(=C\C=C/C(=C(\[C@H]([C@H]([C@H]([C@@H]1OC(=O)C)C)O)C)/O)/C)/C)C5=NC6(CCN(CC6)CC(C)C)NC5=C43)O)O)C)C)OC

Computed by PubChem (NCBI)

Synonyms: 20, 21-Didehydro Rifabutin
Isomers (same molecular formula)
[(7S,9E,11S,12R,13S,14R,15R,16S,17R,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,22-hexamethyl-18-methylidene-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate C46H60N4O11