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Substance Name: Germitrine
RN: 560-48-5
UNII: U1G91M951M
InChIKey: FLFCQWMYNRYARR-WBIXJPJDSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H61-N-O12

Molecular Weight

  • 735.9059
 
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Names and Synonyms

Name of Substance

  • Germitrine

Synonyms

  • 4-21-00-06809 (Beilstein Handbook Reference)
  • BRN 0076383
  • Germitrin
  • Germitrine
  • UNII-U1G91M951M

Systematic Names

  • Cevane-3-beta,4-beta,7-alpha,14,15-alpha,16-beta,20-heptol, 4,9-epoxy-, 7-acetate, 15-((+)-2-hydroxy-2-methylbutyrate) 3-((-)-2-methylbutyrate)
  • Germine 3-(1)-2-methylbutyrate 7-acetate 15(d)-2-hydroxyl-2-methylbutyrate

Registry Numbers

CAS Registry Number

  • 560-48-5

FDA UNII

  • U1G91M951M

System Generated Number

  • 0000560485

Structure Descriptors

InChI

1S/C39H61NO12/c1-9-20(4)32(43)51-31-29(42)28-22(18-40-17-19(3)11-12-26(40)36(28,8)46)23-16-37-30(38(23,31)47)24(49-21(5)41)15-25-34(37,6)14-13-27(39(25,48)52-37)50-33(44)35(7,45)10-2/h19-20,22-31,42,45-48H,9-18H2,1-8H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-,39+/m0/s1

InChIKey

FLFCQWMYNRYARR-WBIXJPJDSA-N

Smiles

CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H](C[C@H]6[C@]7([C@]5(C4)O[C@]6([C@H](CC7)OC(=O)[C@](C)(CC)O)O)C)OC(=O)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 200ug/kg (0.2mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 89, 1955.