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Substance Name: Piperidine, 1-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-oxo-6-(1-piperidinyl)-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-oxo-6-(1-piperidinyl)-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-
RN: 126145-77-5
InChIKey: OXIUZZIJYILSDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C67-H99-N3-O18

Molecular Weight

  • 1234.5221
 
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Names and Synonyms

Synonym

  • BRN 4289609

Systematic Name

  • Piperidine, 1-((3-beta,20-beta)-3-((3,4-di-O-acetyl-6-deoxy-6-oxo-6-(1-piperidinyl)-2-O-(2,3,4-tri-O-acetyl-6-deoxy-6-oxo-6-(1-piperidinyl)-beta-D-glucopyranosyl)-alpha-D-glucopyranosyl)oxy)-11,29-dioxoolean-12-en-29-yl)-

Registry Numbers

CAS Registry Number

  • 126145-77-5

System Generated Number

  • 0126145775

Structure Descriptors

InChI

1S/C67H99N3O18/c1-38(71)80-48-50(81-39(2)72)55(86-49-51(82-40(3)73)54(83-41(4)74)59(84-42(5)75)87-53(49)58(78)69-32-18-14-19-33-69)60(88-52(48)57(77)68-30-16-13-17-31-68)85-47-23-24-65(10)46(62(47,6)7)22-25-67(12)56(65)45(76)36-43-44-37-64(9,61(79)70-34-20-15-21-35-70)27-26-63(44,8)28-29-66(43,67)11/h36,44,46-56,59-60H,13-35,37H2,1-12H3

InChIKey

OXIUZZIJYILSDK-UHFFFAOYSA-N

Smiles

CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)N2CCCCC2)OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5C(=O)C=C7C6(CCC8(C7CC(CC8)(C)C(=O)N9CCCCC9)C)C)C)C)C(=O)N1CCCCC1)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.