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Substance Name: Rifamycin SV, 8-(diethylaminomethyl)-
RN: 4075-41-6
InChIKey: PHNHLMKMZYDVBQ-XCAXMWIJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H58-N2-O12

Molecular Weight

  • 782.9222
 
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Names and Synonyms

Results Name

  • Rifamycin SV, 8-(diethylaminomethyl)-

Synonyms

  • NCI 145-666
  • NSC 173706
  • PF-42
  • Rifamycin PF 42
  • Rifamycin SV, 8-(diethylaminomethyl)-

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-(diethylaminomethyl)-, 21-acetate

Registry Numbers

CAS Registry Number

  • 4075-41-6

System Generated Number

  • 0004075416

Structure Descriptors

InChI

1S/C42H58N2O12/c1-12-44(13-2)19-27-32-37(50)30-29(36(27)49)31-39(25(8)35(30)48)56-42(10,40(31)51)54-18-17-28(53-11)22(5)38(55-26(9)45)24(7)34(47)23(6)33(46)20(3)15-14-16-21(4)41(52)43-32/h14-18,20,22-24,28,33-34,38,46-50H,12-13,19H2,1-11H3,(H,43,52)/b15-14+,18-17+,21-16-/t20-,22+,23-,24+,28+,33-,34+,38+,42+/m1/s1

InChIKey

PHNHLMKMZYDVBQ-XCAXMWIJSA-N

Smiles

CCN(CC)Cc1c2c(c3c(c1O)c4c(c(c3O)C)O[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)N2)/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 400mg/kg (400mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.
mouse LD50 intravenous 205mg/kg (205mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.