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Substance Name: Trestatin B
RN: 71869-92-6
InChIKey: WEDWQCPYKKZMDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H63-N-O28

Molecular Weight

  • 969.8837
 
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Names and Synonyms

Results Name

  • Trestatin B

Name of Substance

  • Trestatin B

Synonyms

  • Ro 09-0184
  • Trestatin B

Systematic Name

  • alpha-D-Glucopyranoside, alpha-D-glucopyranosyl O-4,6-dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-

Registry Numbers

CAS Registry Number

  • 71869-92-6

System Generated Number

  • 0071869926

Structure Descriptors

InChI

1S/C37H63NO28/c1-8-15(38-10-2-9(3-39)16(44)20(48)17(10)45)19(47)25(53)33(58-8)63-30-12(5-41)60-34(27(55)22(30)50)64-31-13(6-42)61-35(28(56)23(31)51)65-32-14(7-43)62-37(29(57)24(32)52)66-36-26(54)21(49)18(46)11(4-40)59-36/h2,8,10-57H,3-7H2,1H3

InChIKey

WEDWQCPYKKZMDF-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(C(C(C(O5)CO)O)O)O)CO)CO)CO)O)O)NC6C=C(C(C(C6O)O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 36, Pg. 1157, 1983.