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Substance Name: alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(nonylamino)-11,29-dioxoolean-12-en-3-yl N-nonyl-2-O-(2,3,4-tri-O-acetyl-N-nonyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate
RN: 126164-75-8
InChIKey: SCRAMIBBKKQJPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C79-H129-N3-O18

Molecular Weight

  • 1408.8911
 
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Names and Synonyms

Synonym

  • BRN 4241578

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 126164-75-8

System Generated Number

  • 0126164758

Structure Descriptors

InChI

1S/C79H129N3O18/c1-16-19-22-25-28-31-34-45-80-69(89)64-60(92-50(4)83)62(93-51(5)84)67(98-61-63(94-52(6)85)66(95-53(7)86)71(96-54(8)87)99-65(61)70(90)81-46-35-32-29-26-23-20-17-2)72(100-64)97-59-38-39-77(13)58(74(59,9)10)37-40-79(15)68(77)57(88)48-55-56-49-76(12,42-41-75(56,11)43-44-78(55,79)14)73(91)82-47-36-33-30-27-24-21-18-3/h48,56,58-68,71-72H,16-47,49H2,1-15H3,(H,80,89)(H,81,90)(H,82,91)

InChIKey

SCRAMIBBKKQJPT-UHFFFAOYSA-N

Smiles

CCCCCCCCCNC(=O)C1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4C(=O)C=C6C5(CCC7(C6CC(CC7)(C)C(=O)NCCCCCCCCC)C)C)C)C)C(=O)NCCCCCCCCC)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.