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Substance Name: Digipurpurin
RN: 11024-23-0
InChIKey: SFEHRMOYOAKJPO-TVHYSOCZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H64-O14

Molecular Weight

  • 738.9058
 
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Names and Synonyms

Synonym

  • RTECS IR8666000

Systematic Name

  • Digipurpurin

Registry Numbers

CAS Registry Number

  • 11024-23-0

System Generated Number

  • 0011024230

Structure Descriptors

InChI

1S/C39H62O13/c1-18(40)24-10-12-39(46)25-8-7-22-13-23(9-11-37(22,5)26(25)14-30(44)38(24,39)6)50-31-16-28(42)35(20(3)48-31)52-33-17-29(43)36(21(4)49-33)51-32-15-27(41)34(45)19(2)47-32/h7,19-21,23-36,41-46H,8-17H2,1-6H3/t19-,20-,21-,23+,24?,25?,26?,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37+,38+,39-/m1/s1

InChIKey

SFEHRMOYOAKJPO-TVHYSOCZSA-N

Smiles

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C6C[C@@H]([C@@]7(C(CC[C@]7(C6CC=C5C4)O)C(=O)C)C)O)C)C)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intravenous > 4572ug/kg (4.572mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.