Rifampicin Quinone

Basic Information

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CAS Number

13983-13-6

Molecular Formula

C43H56N4O12

Molecular Weight

820.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)NC(=C(C3=O)/C=N/N5CCN(CC5)C)C2=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

InChI

InChI=1S/C43H56N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

InChIKey

IHHAOHNZEKYBLG-WLSIYKJHSA-N

LogP

3.233720000000002

Topological Polar Surface Area

213.82999999999993 Å²

Hydrogen Bond Donor/Acceptor

4 / 16

Synonyms & References

English

Rifampin Quinone
Rifampicin Quinone
Dehydrorifampicin
RIFAMPICIN QUINONE, EP STANDARD
Nsc145633
Rifaldazinequinone
RIFAMPIN QUINONE (50 MG)
Rifampin Quinone (25 mg)
Rifamycin, 1,4-dideoxy-1,4-dihydro-3-[[(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxo-
1,4-Dideoxy-1,4-dihydro-3-[(E)-[(4-Methyl-1-piperazinyl)iMino]Methyl]-1,4-dioxo-RifaMycin
5,17,19,21-tetrahydroxy-23-Methoxy-2,4,12,16,18,20,22-heptaMethyl-8-[N-(4-Methyl-1-piperazinyl)forMiMidoyl]-2,7-(epoxypentadeca[1,11,13]trieniMino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone 21-Acetate
Rifampin Impurity A
1,4-dideoxy-1,4-dihydro-3-[ [(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxo- Rifamycin