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Substance Name: N-Acetylbenanomicin B
RN: 132915-95-8
InChIKey: LXWQNHNXQHWUOY-ZBLODRRLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H44-N2-O19

Molecular Weight

  • 868.794
 
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Names and Synonyms

Results Name

  • N-Acetylbenanomicin B

Synonym

  • N-Acetylbenanomicin B

Systematic Name

  • D-Alanine, N-((5-((4-(acetylamino)-4,6-dideoxy-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)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 132915-95-8

System Generated Number

  • 0132915958

Structure Descriptors

InChI

1S/C41H44N2O19/c1-11-6-19-25(32(51)22(11)38(55)42-12(2)39(56)57)24-17(9-18-26(33(24)52)29(48)16-7-15(58-5)8-20(45)23(16)28(18)47)30(49)36(19)61-41-35(54)37(27(13(3)60-41)43-14(4)44)62-40-34(53)31(50)21(46)10-59-40/h6-9,12-13,21,27,30-31,34-37,40-41,45-46,49-54H,10H2,1-5H3,(H,42,55)(H,43,44)(H,56,57)/t12-,13-,21-,27+,30+,31+,34-,35-,36+,37+,40+,41+/m1/s1

InChIKey

LXWQNHNXQHWUOY-ZBLODRRLSA-N

Smiles

c12c(C(=O)c3c(C1=O)cc(OC)cc3O)cc1c(c3c(cc(c(c3O)C(N[C@@H](C(=O)O)C)=O)C)[C@@H]([C@H]1O)O[C@H]1[C@@H]([C@@H](O[C@H]3[C@@H]([C@@H](O)[C@@H](CO3)O)O)[C@H]([C@H](O1)C)NC(=O)C)O)c2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 300mg/kg (300mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 1228, 1991.