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Substance Name: 3'-Hydroxybenanomicin A
RN: 139272-69-8
UNII: 3BAE3PZN9P
InChIKey: AXPBRQZJFXIYTD-PWEAUJHISA-N

Note

  • Derived from PRM FA-2.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H41-N-O20

Molecular Weight

  • 843.74
 
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Names and Synonyms

Name of Substance

  • 3'-Hydroxybenanomicin A

Synonyms

  • BMS-181184
  • UNII-3BAE3PZN9P

Systematic Name

  • D-Serine, N-((5-((6-deoxy-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

  • 139272-69-8

FDA UNII

  • 3BAE3PZN9P

System Generated Number

  • 0139272698

Structure Descriptors

InChI

1S/C39H41NO20/c1-10-4-16-23(30(49)20(10)36(53)40-17(8-41)37(54)55)22-14(7-15-24(31(22)50)27(46)13-5-12(56-3)6-18(42)21(13)26(15)45)28(47)34(16)59-39-33(52)35(25(44)11(2)58-39)60-38-32(51)29(48)19(43)9-57-38/h4-7,11,17,19,25,28-29,32-35,38-39,41-44,47-52H,8-9H2,1-3H3,(H,40,53)(H,54,55)/t11?,17?,19?,25?,28?,29?,32?,33?,34-,35?,38?,39?/m0/s1

InChIKey

AXPBRQZJFXIYTD-PWEAUJHISA-N

Smiles

c12c(C(=O)c3c(C1=O)cc(OC)cc3O)cc1c(c3c(cc(c(c3O)C(N[C@@H](C(=O)O)CO)=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)O)O)c2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 600mg/kg (600mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 1512, 1992.