CAS Registry Number®
13983-13-6
CAS Name
Rifampicin quinone
Molecular Formula
C43H56N4O12
Molecular Mass
820.92
Compound Properties
-
Melting Point (1)
185 °C
Source(s)
- (1) Maggi, Nicola; Chemotherapia, (1966), 11(5), 285-92, CAplus
Other Names and Identifiers
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
InChIKey=IHHAOHNZEKYBLG-GIQITBJXSA-N
SMILES
O=C1C=2C3=C4O[C@@](C)(C3=O)O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C/C=C(\C)/C(=O)NC(C(=O)C2C(O)=C4C)=C1/C=N/N5CCN(C)CC5
Canonical SMILES
O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C=4C(=O)C(C=NN5CCN(C)CC5)=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)C(=O)C4C(O)=C3C)C)C
Other Names for this Substance
- Rifamycin, 1,4-dideoxy-1,4-dihydro-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxo-
- 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate
- 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
- 1,4-Dideoxy-1,4-dihydro-3-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-1,4-dioxorifamycin
- Rifaldazinequinone
- Rifampicin quinone
- Rifampin quinone
- NSC 145633
Deleted or Replaced CAS Registry Numbers
123683-19-2, 23100-90-5, 79623-40-8
