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Substance Name: 6'-N-t-Butylsisomicin
RN: 63142-39-2
InChIKey: VENUMUIFOVRGNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H45-N5-O7.1/2H2-O

Molecular Weight

  • 503.6365
 
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Names and Synonyms

Results Name

  • 6'-N-t-Butylsisomicin

Synonym

  • 6'-N-tert-Butylsisomicin

Systematic Name

  • D-Streptamine, 2-amino-2,3,4,6-tetradeoxy-6-((1,1-dimethylethyl)amino)-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl)-(1-6)-2-deoxy-, hemihydrate

Registry Numbers

CAS Registry Number

  • 63142-39-2

System Generated Number

  • 0063142392

Molecular Formulas

Molecular Formula

  • C23-H45-N5-O7.1/2H2-O

Molecular Formula Fragments

  • C23-H45-N5-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H45N5O7/c1-22(2,3)28-8-11-6-14(26)20(32-9-11)34-17-12(24)7-13(25)18(15(17)29)35-21-16(30)19(27-5)23(4,31)10-33-21/h6,12-21,27-31H,7-10,24-26H2,1-5H3

InChIKey

VENUMUIFOVRGNW-UHFFFAOYSA-N

Smiles

CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C=C(CO3)CNC(C)(C)C)N)N)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 189, 1978.