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Substance Name: Rifamycin SV, 8-(1-pyrrolidinylmethyl)-
RN: 4075-42-7
InChIKey: CRQRORLRKWVTQE-UAEMNYERSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H56-N2-O12

Molecular Weight

  • 780.906
 
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Names and Synonyms

Results Name

  • Rifamycin SV, 8-(1-pyrrolidinylmethyl)-

Synonyms

  • NCI 144-144
  • NSC 144144
  • PF-61
  • Rifamycin SV, 8-(1-pyrrolidinylmethyl)-

Systematic Name

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-(1-pyrrolidinylmethyl)-, 21-acetate

Registry Numbers

CAS Registry Number

  • 4075-42-7

System Generated Number

  • 0004075427

Structure Descriptors

InChI

1S/C42H56N2O12/c1-20-13-12-14-21(2)41(52)43-32-27(19-44-16-10-11-17-44)36(49)29-30(37(32)50)35(48)25(6)39-31(29)40(51)42(8,56-39)54-18-15-28(53-9)22(3)38(55-26(7)45)24(5)34(47)23(4)33(20)46/h12-15,18,20,22-24,28,33-34,38,46-50H,10-11,16-17,19H2,1-9H3,(H,43,52)/b13-12+,18-15+,21-14-

InChIKey

CRQRORLRKWVTQE-UAEMNYERSA-N

Smiles

c12c(c(c3c4c(c(c(O)c3c2O)C)O[C@@](C4=O)(OC=C[C@@H](OC)[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(N1)=O)OC(C)=O)C)O)CN1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.
mouse LD50 intravenous 190mg/kg (190mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.