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Substance Name: 3,3'-Neotrehalosadiamine
RN: 104196-14-7
InChIKey: ZPEFXARQZVAHGO-DCSYEGIMSA-N

Note

  • From bacterial strain K169-B91.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C12-H24-N2-O9

Molecular Weight

  • 340.327
 
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Names and Synonyms

Name of Substance

  • 3,3'-Neotrehalosadiamine

Synonyms

  • 3,3'-Diamino-3,3'-dideoxy-alpha,beta-trehalose
  • 3,3'-Neotrehalosadiamine
  • 3-Amino-3-deoxy-beta-D-glucopyranosyl 3-amino-3-deoxy-alpha-D-glucopyranoside
  • BMY 28251
  • BU-2797

Systematic Name

  • alpha-D-Glucopyranoside, 3-amino-3-deoxy-beta-D-glucopyranosyl 3-amino-3-deoxy-

Registry Numbers

CAS Registry Number

  • 104196-14-7

System Generated Number

  • 0104196147

Structure Descriptors

InChI

1S/C12H24N2O9/c13-5-7(17)3(1-15)21-11(9(5)19)23-12-10(20)6(14)8(18)4(2-16)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1

InChIKey

ZPEFXARQZVAHGO-DCSYEGIMSA-N

Smiles

O([C@@H]1[C@H](O)[C@H]([C@H](O)[C@H](O1)CO)N)[C@H]1[C@H](O)[C@H]([C@H](O)[C@H](O1)CO)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 400mg/kg (400mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 1001, 1986.