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Substance Name: Neogitostin, acetate
RN: 61186-33-2
InChIKey: VJCAEOQJQDFNCL-UHFFFAOYSA-N

Molecular Weight

  • 1253.2956
 
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Names and Synonyms

  • Neogitostin, acetate

Registry Numbers

CAS Registry Number

  • 61186-33-2

System Generated Number

  • 0061186332

Structure Descriptors

InChI

1S/C60H84O28/c1-26-46(88-57-54(84-35(10)69)51(81-32(7)66)48(79-30(5)64)43(87-57)25-75-55-53(83-34(9)68)50(80-31(6)65)47(78-29(4)63)42(86-55)24-73-27(2)61)49(72-13)52(82-33(8)67)56(76-26)85-38-16-18-58(11)37(21-38)14-15-40-39(58)17-19-59(12)45(36-20-44(70)74-23-36)41(77-28(3)62)22-60(40,59)71/h20,26,37-43,45-57,71H,14-19,21-25H2,1-13H3

InChIKey

VJCAEOQJQDFNCL-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC(=O)C)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 2553ug/kg (2.553mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.