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Substance Name: 3-Formylrifamycin SV O-(2-(4-methylpiperazinyl)ethyl)oxime
RN: 22912-78-3
InChIKey: COUSDJADPBQTGW-YOZXHLSHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H62-N4-O13

Molecular Weight

  • 867.0
 
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Names and Synonyms

Results Name

  • 3-Formylrifamycin SV O-(2-(4-methylpiperazinyl)ethyl)oxime

Synonyms

  • 3-Formylrifamycin SV O-(2-(4-methylpiperazinyl)ethyl)oxime
  • BRN 5418867

Systematic Name

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 3-formyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, O-(2-(4-methylpiperazinyl)ethyl)oxime

Registry Numbers

CAS Registry Number

  • 22912-78-3

System Generated Number

  • 0022912783

Structure Descriptors

InChI

1S/C45H62N4O13/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-60-21-19-49-17-15-48(9)16-18-49)39(54)32-33(40(35)55)38(53)28(6)42-34(32)43(56)45(8,62-42)59-20-14-31(58-10)25(3)41(61-29(7)50)27(5)37(52)26(4)36(23)51/h11-14,20,22-23,25-27,31,36-37,41,51-55H,15-19,21H2,1-10H3,(H,47,57)/b12-11+,20-14+,24-13-,46-22+

InChIKey

COUSDJADPBQTGW-YOZXHLSHSA-N

Smiles

c12c(c(c3c4c(c(c(c3c2O)O)C)O[C@@](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)O)\C=N\OCCN1CCN(CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 116mg/kg (116mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.