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Substance Name: BRN 4242351
RN: 126145-75-3
InChIKey: MMFLYZVOXNMUER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C103-H177-N3-O18

Molecular Weight

  • 1745.5343
 
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Names and Synonyms

Results Name

  • BRN 4242351

Synonym

  • BRN 4242351

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 126145-75-3

System Generated Number

  • 0126145753

Structure Descriptors

InChI

1S/C103H177N3O18/c1-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-69-104-93(113)88-84(116-74(4)107)86(117-75(5)108)91(122-85-87(118-76(6)109)90(119-77(7)110)95(120-78(8)111)123-89(85)94(114)105-70-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-2)96(124-88)121-83-62-63-101(13)82(98(83,9)10)61-64-103(15)92(101)81(112)72-79-80-73-100(12,66-65-99(80,11)67-68-102(79,103)14)97(115)106-71-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-3/h72,80,82-92,95-96H,16-71,73H2,1-15H3,(H,104,113)(H,105,114)(H,106,115)

InChIKey

MMFLYZVOXNMUER-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCNC(=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)NCCCCCCCCCCCCCCCCC)C)C)C)C)C(=O)NCCCCCCCCCCCCCCCCC)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.