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Substance Name: L-Aspartylpradimicin A
RN: 148676-93-1
InChIKey: SINICJVPUVNHIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H49-N3-O2

Molecular Weight

  • 955.8711
 
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Names and Synonyms

Results Name

  • L-Aspartylpradimicin A

Synonym

  • L-Aspartyl pradimicin A

Systematic Name

  • L-Aspartic acid, N-(N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-D-alanyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148676-93-1

System Generated Number

  • 0148676931

Structure Descriptors

InChI

1S/C44H49N3O21/c1-12-6-19-27(34(56)24(12)41(61)46-13(2)40(60)47-20(42(62)63)10-23(50)51)26-17(9-18-28(35(26)57)31(53)16-7-15(64-5)8-21(48)25(16)30(18)52)32(54)38(19)67-44-37(59)39(29(45-4)14(3)66-44)68-43-36(58)33(55)22(49)11-65-43/h6-9,13-14,20,22,29,32-33,36-39,43-45,48-49,54-59H,10-11H2,1-5H3,(H,46,61)(H,47,60)(H,50,51)(H,62,63)

InChIKey

SINICJVPUVNHIC-UHFFFAOYSA-N

Smiles

Cc1cc2c(c(c1C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)C(C2OC6C(C(C(C(O6)C)NC)OC7C(C(C(CO7)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 494, 1993.