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Substance Name: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-((2-hydroxyethyl)amino)-11,29-dioxoolean-12-en-3-yl N-(2-hydroxyethyl)-2-O-(2,3,4-tri-O-acetyl-N-(2-hydroxyethyl)-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
RN: 126145-79-7
InChIKey: GJDAXEDGJYHHBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H87-N3-O21

Molecular Weight

  • 1162.3253
 
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Names and Synonyms

Synonym

  • BRN 4289519

Systematic Name

  • alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-((2-hydroxyethyl)amino)-11,29-dioxoolean-12-en-3-yl N-(2-hydroxyethyl)-2-O-(2,3,4-tri-O-acetyl-N-(2-hydroxyethyl)-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate

Registry Numbers

CAS Registry Number

  • 126145-79-7

System Generated Number

  • 0126145797

Structure Descriptors

InChI

1S/C58H87N3O21/c1-29(65)74-39-41(75-30(2)66)46(80-40-42(76-31(3)67)45(77-32(4)68)50(78-33(5)69)81-44(40)49(72)60-22-25-63)51(82-43(39)48(71)59-21-24-62)79-38-14-15-56(10)37(53(38,6)7)13-16-58(12)47(56)36(70)27-34-35-28-55(9,52(73)61-23-26-64)18-17-54(35,8)19-20-57(34,58)11/h27,35,37-47,50-51,62-64H,13-26,28H2,1-12H3,(H,59,71)(H,60,72)(H,61,73)

InChIKey

GJDAXEDGJYHHBV-UHFFFAOYSA-N

Smiles

CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)NCCO)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4C(=O)C=C6C5(CCC7(C6CC(CC7)(C)C(=O)NCCO)C)C)C)C)C(=O)NCCO)OC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 728, 1989.