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Substance Name: Solanine
RN: 20562-02-1
UNII: 15XXN7Q45T
InChIKey: ZGVSETXHNHBTRK-VOUYUVDDSA-N

Note

  • A mixture of alpha-chaconine and alpha-solanine, found in SOLANACEAE plants.

Molecular Formula

  • C45-H73-N-O15

Molecular Weight

  • 868.0637
 

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data
  • Natural Product
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Solanine

MeSH Heading

  • Solanine

Synonyms

  • 4-21-00-01402 (Beilstein Handbook Reference)
  • alpha-Solanin
  • beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))
  • BRN 0077607
  • CCRIS 6507
  • EINECS 243-879-8
  • HSDB 3539
  • Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl)-O-(beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-
  • Solanine
  • Solatunine
  • UNII-15XXN7Q45T

Systematic Names

  • beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-
  • Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-beta-D-galactopyranosyl)oxy)-
  • Solanine

Registry Numbers

CAS Registry Number

  • 20562-02-1

FDA UNII

  • 15XXN7Q45T

Other Registry Numbers

  • 11017-45-1
  • 125-97-3
  • 32242-09-4
  • 73681-48-8

System Generated Number

  • 0020562021

Structure Descriptors

InChI

1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/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-/m0/s1

InChIKey

ZGVSETXHNHBTRK-VOUYUVDDSA-N

Smiles

C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3C(C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)C5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)N2C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
domestic animals - goat/sheep LDLo intravenous 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
Schweizer Archiv fuer Tierheilkunde. Vol. 95, Pg. 97, 1953.
domestic animals - goat/sheep LDLo oral 500mg/kg (500mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Schweizer Archiv fuer Tierheilkunde. Vol. 95, Pg. 97, 1953.
human TDLo oral 2800ug/kg (2.8mg/kg) BEHAVIORAL: HEADACHE

GASTROINTESTINAL: GASTRITIS
Veterinary and Human Toxicology. Vol. 25, Pg. 13, 1983.
man LDLo unreported 2941ug/kg (2.941mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LD50 intraperitoneal 32mg/kg (32mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Food and Cosmetics Toxicology. Vol. 10, Pg. 395, 1972.
rabbit LDLo intraperitoneal 20mg/kg (20mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Toxicology and Applied Pharmacology. Vol. 19, Pg. 81, 1971.
rabbit LDLo intravenous 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Toxicology and Applied Pharmacology. Vol. 19, Pg. 81, 1971.
rabbit LDLo subcutaneous 5mg/kg (5mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
rat LD50 intraperitoneal 67mg/kg (67mg/kg)   Toxicology and Applied Pharmacology. Vol. 36, Pg. 227, 1976.
rat LD50 oral 590mg/kg (590mg/kg)   Teratology, The International Journal of Abnormal Development. Vol. 8, Pg. 349, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 285 dec deg C   EXP
log P (octanol-water) 2.000 (none)   EST
Water Solubility 1.380 mg/L 25 EST
Vapor Pressure 1.67E-34 mm Hg 25 EST
Henry's Law Constant 1.22E-31 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.72E-10 cm3/molecule-sec 25 EST

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