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Substance Name: Solasodine
RN: 126-17-0
UNII: L40Y453Y96
InChIKey: KWVISVAMQJWJSZ-VKROHFNGSA-N

Classification Codes

  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C27-H43-N-O2

Molecular Weight

  • 413.6417
 
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Names and Synonyms

Name of Substance

  • Solasodine

Synonyms

  • 4-27-00-02000 (Beilstein Handbook Reference)
  • BRN 0094578
  • delta5-20Betaf,22alphaf,25alphaf,27-azaspirosten-3beta-ol
  • EINECS 204-774-2
  • HSDB 3538
  • NSC 178260
  • NSC 179187
  • Purapuridine
  • RTECS WO0672000
  • Salasdine
  • Salasodine
  • Solancarpidine
  • Solanidine-S
  • Solasod-5-en-3beta-ol
  • Solasodin
  • Solasodine
  • SOLASODINE HYDROCHLORIDE BASE
  • Spirosol-5-en-3-ol, (3beta,22alpha,25R)-
  • UNII-L40Y453Y96

Systematic Names

  • Solasod-5-en-3-beta-ol
  • Solasod-5-en-3beta-ol (8CI)
  • Solasodine
  • Spirosol-5-en-3-ol, (3beta,22alpha,25R)- (9CI)

Superlist Name

  • Solasodine

Registry Numbers

CAS Registry Number

  • 126-17-0

FDA UNII

  • L40Y453Y96

System Generated Number

  • 0000126170

Structure Descriptors

InChI

1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

InChIKey

KWVISVAMQJWJSZ-VKROHFNGSA-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)C)C)NC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 103mg/kg (103mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Farmakologiya i Toksikologiya Vol. 37, Pg. 719, 1974.
hamster LDLo oral 1200mg/kg (1200mg/kg)   Teratology, The International Journal of Abnormal Development. Vol. 17, Pg. 327, 1978.
mouse LD50 intraperitoneal 899mg/kg (899mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Pharmaceutical Chemistry Journal Vol. 11, Pg. 1095, 1977.
mouse LD50 oral 27500ug/kg (27.5mg/kg)   Farmakologiya i Toksikologiya Vol. 24, Pg. 469, 1961.
rat LD50 intraperitoneal 396mg/kg (396mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Pharmaceutical Chemistry Journal Vol. 11, Pg. 1095, 1977.
rat LD50 oral 4978mg/kg (4978mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Pharmaceutical Chemistry Journal Vol. 11, Pg. 1095, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 202 deg C   EXP
log P (octanol-water) 6.830 (none)   EST
Atmospheric OH Rate Constant 2.13E-10 cm3/molecule-sec 25 EST

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