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Substance Name: LS 105790
RN: 137734-07-7
InChIKey: VZVZCURKFCIYNZ-FFTWKVOBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C72-H95-N3-O19

Molecular Weight

  • 1306.5445
 
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Names and Synonyms

Results Name

  • LS 105790

Synonym

  • LS-105790

Systematic Name

  • L-Phenylanine, N-(1-O-((3-beta,20-beta)-29-((2-methoxy-2-oxo-1-(phenylmethyl)ethyl)amino)-11,29-dioxoolean-12-en-3-yl)-2-O-(N-(2-methoxy-2-oxo-1-(phenylmethyl)ethyl)-beta-D-glucopyranuronamidosyl)-alpha-D-glucopyranuronoyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 137734-07-7

System Generated Number

  • 0137734077

Structure Descriptors

InChI

1S/C72H95N3O19/c1-67(2)48-26-29-72(7)58(47(76)37-42-43-38-69(4,31-30-68(43,3)32-33-71(42,72)6)66(87)75-46(63(86)90-10)36-41-24-18-13-19-25-41)70(48,5)28-27-49(67)91-65-57(53(80)52(79)56(93-65)60(83)74-45(62(85)89-9)35-40-22-16-12-17-23-40)94-64-54(81)50(77)51(78)55(92-64)59(82)73-44(61(84)88-8)34-39-20-14-11-15-21-39/h11-25,37,43-46,48-58,64-65,77-81H,26-36,38H2,1-10H3,(H,73,82)(H,74,83)(H,75,87)/t43-,44-,45-,46-,48-,49-,50-,51-,52-,53-,54+,55-,56-,57+,58+,64-,65-,68+,69-,70-,71+,72+/m0/s1

InChIKey

VZVZCURKFCIYNZ-FFTWKVOBSA-N

Smiles

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N[C@@H](Cc7ccccc7)C(=O)OC)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)N[C@@H](Cc9ccccc9)C(=O)OC)O)O)O)C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 45, 1995.