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Substance Name: Veratrine
RN: 62-59-9
UNII: ERQ7M6C50B
InChIKey: DBUCFOVFALNEOO-HWBIYQLFSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C32-H49-N-O9

Molecular Weight

  • 591.737
 
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Names and Synonyms

Name of Substance

  • Veratrine

MeSH Heading

  • Veratrine

Synonyms

  • (Z)-4-alpha,9-Epoxycevane-3-beta,4,12,14,16-beta,17,20-heptol 3-(2-methyl-2-butenoate)
  • 4-21-00-06820 (Beilstein Handbook Reference)
  • BRN 0072445
  • Cevadene
  • Cevadin
  • Cevadine
  • EINECS 200-545-6
  • NSC 93767
  • UNII-ERQ7M6C50B
  • Veratrine
  • Veratrine (crystallized)
  • Veratrine (crystallized) (VAN)

Systematic Names

  • Cevadine
  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-((2Z)-2-methyl-2-butenoate), (3beta,4alpha,16beta)-
  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3beta(Z),4alpha,16beta)-
  • Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)-
  • Cevane-3beta,4beta,12,14,16beta,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)- (8CI)

Registry Numbers

CAS Registry Number

  • 62-59-9

FDA UNII

  • ERQ7M6C50B

Other Registry Number

  • 51838-64-3

System Generated Number

  • 0000062599

Structure Descriptors

InChI

1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1

InChIKey

DBUCFOVFALNEOO-HWBIYQLFSA-N

Smiles

C1[C@@]23[C@H]([C@@]4(C[C@H](O)[C@@]5([C@H]([C@@]14O)C[N@@]1C[C@@H](C)CC[C@@H]1[C@@]5(C)O)O)O)CC[C@H]1[C@@]2(CC[C@@H]([C@@]1(O3)O)OC(\C(=C/C)C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 116mg/kg (116mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Journal of Pharmacology and Experimental Therapeutics. Vol. 120, Pg. 412, 1957.
guinea pig LDLo subcutaneous 1mg/kg (1mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Physiological Reviews. Vol. 26, Pg. 383, 1946.
mouse LD50 intraperitoneal 3500ug/kg (3.5mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 76, Pg. 847, 1951.
mouse LD50 intravenous 1mg/kg (1mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Physiological Reviews. Vol. 26, Pg. 383, 1946.
mouse LD50 subcutaneous 4900ug/kg (4.9mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213.5 dec deg C   EXP
log P (octanol-water) 0.890 (none)   EST
Water Solubility 570 mg/L 25 EXP
Vapor Pressure 4.57E-21 mm Hg 25 EST
Henry's Law Constant 8.69E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.74E-10 cm3/molecule-sec 25 EST

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