CAS No. 13292-22-3

Purity

99% min

Molecular Formula: C38H47NO13
Molecular Weight: 725.78

Description:
3-Formyl Rifamycin is a metabolite of Rifampicin, a Rifamycin antibiotic. Rifampicin is a bactericidal antibiotic agent of the rifamycin group.

• Molecular Weight: 725.78
• Molecular Formula: C38H47NO13

Purity: > 98%

Canonical SMILES:
CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)C

InChI:
InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10-,14-13?,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1

InChIKey: BBNQHOMJRFAQBN-IPZONSSCSA-N

• Boiling Point: 855.4±65.0 °C (Predicted)
• Melting Point: > 122 °C (dec.)
• Solubility: Slightly soluble in Chloroform, DMSO, Methanol
• Appearance: Black-red Solid
• Storage: -20 °C under inert atmosphere

Synonyms:
1,2-Dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-8-carboxaldehyde 21-Acetate; 3-Formylrifampicin SV; NCI 145-635; Rifaldehyde; 3-formyl Rifampicin SV; Rifaldehyde; Rifamycin, 3-formyl-

More details are to be found on supplier website

Smile code:
C[C@@]([C@@](O)([H])[C@@]([C@](O)([H])[C@@]([C@@](OC(C)=O)([H])[C@]([C@](OC)([H])/C([H])=C([H])/O[C@@]1(C(C2=C(O1)C(C)=C(O)C3=C2C(O)=C(C4=C3O)C=O)=O)C)([H])C)([H])C)([H])C)([H])/C([H])=C([H])/C([H])=C(C(O)=N4)C
MDL Number:
MFCD01729454
Purity :
97%
Available in stock:
20.9 g