MedKoo Cat#: 125440 | Name: Desacetylrifampicin

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Desacetylrifampicin, also named as 25-Desacetyl Rifampicin, is the main metabolite of rifampicin.

Chemical Structure

Desacetylrifampicin
Desacetylrifampicin
CAS#16783-99-6

Theoretical Analysis

MedKoo Cat#: 125440

Name: Desacetylrifampicin

CAS#: 16783-99-6

Chemical Formula: C41H56N4O11

Exact Mass: 780.3900

Molecular Weight: 780.92

Elemental Analysis: C, 63.06; H, 7.23; N, 7.17; O, 22.54

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
Desacetylrifampicin; 25-Desacetyl Rifampicin; 16783-99-6; DESACETYLRIFAMPIN; 25-Deacetylrifampicin
IUPAC/Chemical Name
(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E,21Z)-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
InChi Key
KUJZTIJOBQNKDR-OACVHIRKSA-N
InChi Code
InChI=1S/C41H56N4O11/c1-20-11-10-12-21(2)40(53)43-31-26(19-42-45-16-14-44(8)15-17-45)36(50)28-29(37(31)51)35(49)25(6)38-30(28)39(52)41(7,56-38)55-18-13-27(54-9)22(3)33(47)24(5)34(48)23(4)32(20)46/h10-13,18-20,22-24,27,32-34,46-51H,14-17H2,1-9H3,(H,43,53)/b11-10+,18-13+,21-12-,42-19+/t20-,22+,23+,24-,27-,32-,33+,34+,41-/m0/s1
SMILES Code
O=C([C@@](O1)(C)O/C=C/[C@H](OC)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)\C(N2)=O)C3=C1C(C)=C(O)C4=C(O)C2=C(/C=N/N5CCN(C)CC5)C(O)=C43
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 780.92 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Oldfield S, Berg JD, Stiles HJ, Buckley BM. Measurement of rifampicin and 25-desacetylrifampicin in biological fluids using high-performance liquid chromatography with direct sample injection. J Chromatogr. 1986 Apr 25;377:423-9. doi: 10.1016/s0378-4347(00)80804-x. PMID: 3711237. 2: Houin G, Beucler A, Richelet S, Brioude R, Lafaix C, Tillement JP. Pharmacokinetics of rifampicin and desacetylrifampicin in tuberculous patients after different rates of infusion. Ther Drug Monit. 1983;5(1):67-72. doi: 10.1097/00007691-198303000-00005. PMID: 6845401. 3: Guillaumont M, Leclercq M, Frobert Y, Guise B, Harf R. Determination of rifampicin, desacetylrifampicin, isoniazid and acetylisoniazid by high- performance liquid chromatography: application to human serum extracts, polymorphonucleocytes and alveolar macrophages. J Chromatogr. 1982 Nov 12;232(2):369-76. doi: 10.1016/s0378-4347(00)84176-6. PMID: 7153283. 4: Ratti B, Parenti RR, Toselli A, Zerilli LF. Quantitative assay of rifampicin and its main metabolite 25-desacetylrifampicin in human plasma by reversed-phase high-performance liquid chromatography. J Chromatogr. 1981 Oct 9;225(2):526-31. doi: 10.1016/s0378-4347(00)80308-4. PMID: 7298788. 5: Mouton RP, Mattie H, Swart K, Kreukniet J, de Wael J. Blood levels of rifampicin, desacetylrifampicin and isoniazid during combined therapy. J Antimicrob Chemother. 1979 Jul;5(4):447-54. doi: 10.1093/jac/5.4.447. PMID: 489492. 6: Manuĭlov KK, Gagaeva EV. Kolichestvennoe opredelenie rifampitsina i 25-dezatsetilrifampi- tsina v plazme s pomo'shchiu vysokoéffektivnoĭ zhidkostnoĭ khromatografii [Quantitative analysis of rifampicin and 25-desacetylrifampicin in the plasma using high performance liquid chromatography]. Antibiot Khimioter. 1989 Sep;34(9):682-4. Russian. PMID: 2610536.