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Substance Name: Rifamycin O
RN: 14487-05-9
UNII: Z67LEM9P1W
InChIKey: RAFHKEAPVIWLJC-KQOHHTLASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H47-N-O14

Molecular Weight

  • 753.7933
 
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Names and Synonyms

Name of Substance

  • Rifamycin O

Synonyms

  • ((1,2,6,9-Tetrahydro-5,9,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,11-trioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)acetic acid gamma-lactone, 21-acetate
  • EINECS 238-493-1
  • NSC 182391
  • Rifamycin O
  • Rifomycin O
  • UNII-Z67LEM9P1W

Systematic Names

  • Acetic acid, ((1,2,6,9-tetrahydro-5,9,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,11-trioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-, gamma-lactone, 21-acetate
  • Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, gamma-lactone
  • Spiro(1,3-dioxolane-2,9'(6'H)-(2,7)(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan)-1',4,6',11'(2'H)-tetrone, 5',17',19',21'-tetrahydroxy-23'-methoxy-2',4',12',16',18',20',22'-heptamethyl-, 21'-acetate

Registry Numbers

CAS Registry Number

  • 14487-05-9

FDA UNII

  • Z67LEM9P1W

System Generated Number

  • 0014487059

Structure Descriptors

InChI

1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1

InChIKey

RAFHKEAPVIWLJC-KQOHHTLASA-N

Smiles

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(=CC35OCC(=O)O5)C2=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 462, 1980.
mouse LD50 intravenous 1800mg/kg (1800mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 566, 1967.
mouse LD50 subcutaneous 3gm/kg (3000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 462, 1980.