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Substance Name: alpha-Solamargine
RN: 19121-58-5
UNII: TR60638HXL
InChIKey: QCTMYNGDIBTNSK-XEAAVONHSA-N

Note

  • Solasonine is weakly anti-fungal.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H73-N-O16

Molecular Weight

  • 884.0627
 
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Names and Synonyms

Results Name

  • alpha-Solamargine

Name of Substance

  • alpha-Solamargine
  • Solasonine

Synonyms

  • alpha-Solamargine
  • alpha-Solasonine
  • EINECS 242-826-6
  • NSC 82149
  • Solasonin
  • Tomatine solaradixine
  • UNII-TR60638HXL

Systematic Names

  • beta-D-Galactopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))- (9CI)
  • Solasonine

Registry Numbers

CAS Registry Number

  • 19121-58-5

FDA UNII

  • TR60638HXL

System Generated Number

  • 0019121585

Structure Descriptors

InChI

1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1

InChIKey

QCTMYNGDIBTNSK-XEAAVONHSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 77300ug/kg (77.3mg/kg)   Indian Journal of Experimental Biology. Vol. 15, Pg. 285, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.560 (none)   EST
Atmospheric OH Rate Constant 3.75E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.