(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(Acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(乙酰氧基)-5,6,9,17,19-五羟基-23-甲氧基-2, 4,12,16,18,20,22-七甲基-2,7-(环氧戊基[1,11,13]三亚氨基)萘[2,1-b]呋喃-1,11(2H)-二酮

CAS 6998-60-3 MFCD01741300

化学结构图

6998-60-3
SMILES: COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C

化学属性

Mol. Weight698
Mol. FormulaC37H47NO12

别名和识别编码

Wiswesser Line NotationT C6 B65-24- A D E 2BC G& AV LO NO F&VM OU B&U D&UMH&&&TJ DQ GQ IQ J1 M1 QO1 R1 SOV1 T1 UQ V
Chemical Name(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(Acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione
Synonym Rifocin Rifomycin SV Rifamycin SV Rifamicine SV Rifocyn Rifamycin
CAS Number6998-60-3
Chemical Name Translation(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(乙酰氧基)-5,6,9,17,19-五羟基-23-甲氧基-2, 4,12,16,18,20,22-七甲基-2,7-(环氧戊基[1,11,13]三亚氨基)萘[2,1-b]呋喃-1,11(2H)-二酮
Chemicalbook IDCB2731058
PubChem Substance ID6324616
InChIInChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
LabNetwork Molecule IDLN03248504
MDL Number
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安全信息

RTECSKD1922000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5800 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JAJBAD Journal of Antibiotics, Series B.  (Tokyo, Japan)  V.6-20, 1953-67.
   For publisher information, see JJANAX.  Volume(issue)/page/year: 16,312,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AACHAX Antimicrobial Agents and Chemotherapy (1961-70).  (Ann Arbor, MI)
   1961-70.  For publisher information, see AMACCQ.  Volume(issue)/page/year:
   -,359,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 625 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 16,412,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJANAX Japanese Journal of Antibiotics.  (Japan Antibiotics Research Assoc.,
   2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan)  V.21-    1968-
   Volume(issue)/page/year: 23,242,1970

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 100 ng/plate
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,2819,1983

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - mouse Mammary gland
DOSE/DURATION           : 6300 nmol/L/24H (Continuous)
REFERENCE :
   JTSCDR Journal of Toxicological Sciences.  (Japanese Soc. of Toxicological
   Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku,
   Tokyo 113, Japan)  V.1-    1976-  Volume(issue)/page/year: 5,141,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 500 mg/kg
SEX/DURATION            : female 2 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 36,219,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 900 mg/kg
SEX/DURATION            : female 8-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 4,328,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 700 mg/kg
SEX/DURATION            : female 7-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 4,321,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 1800 mg/kg
SEX/DURATION            : female 8-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation

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