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Substance Name: Protoveratrine B
RN: 124-97-0
UNII: AK816144R9
InChIKey: BFLXOMFFVWQPAZ-CEEVVQPDSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C41-H63-N-O15

Molecular Weight

  • 809.9407
 
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Names and Synonyms

Name of Substance

  • Protoveratrine B

Synonyms

  • 4-21-00-06847 (Beilstein Handbook Reference)
  • BRN 0077630
  • EINECS 204-719-2
  • Neoprotoveratrin
  • Neoprotoveratrine
  • NSC 7527
  • Protoveratrine B
  • UNII-AK816144R9
  • Veratetrin
  • Veratetrine

Systematic Names

  • (3beta(2R,3R),4alpha,6alpha,7alpha,15alpha(R),16beta)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-diacetate 3-(2,3-dihydroxy-2-methylbutyrate) 15-(2-methylbutyrate)
  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2,3-dihydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(2R,3R),4alpha,6alpha,7alpha,15alpha(R),16beta)- (9CI)
  • Cevane-3-beta,4-beta,6-alpha,7-alpha,14,15-alpha-16-beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(threo-(+)-2,3-dihydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
  • Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(threo-(+)-2,3-dihydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate) (8CI)

Registry Numbers

CAS Registry Number

  • 124-97-0

FDA UNII

  • AK816144R9

System Generated Number

  • 0000124970

Structure Descriptors

InChI

1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37+,38+,39+,40-,41+/m0/s1

InChIKey

BFLXOMFFVWQPAZ-CEEVVQPDSA-N

Smiles

CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]4C[C@]56O[C@]7(O)[C@H](CC[C@@]5(C)[C@@H]7[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]6[C@]14O)OC(=O)[C@](C)(O)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 2025ug/kg (2.025mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Journal of Pharmacology and Experimental Therapeutics. Vol. 120, Pg. 412, 1957.
mouse LD50 intravenous 65ug/kg (0.065mg/kg)   Annales Pharmaceutiques Francaises. Vol. 14, Pg. 783, 1956.
mouse LD50 subcutaneous 210ug/kg (0.21mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 89, 1955.
rabbit LD50 intravenous 40ug/kg (0.04mg/kg)   Annales Pharmaceutiques Francaises. Vol. 14, Pg. 783, 1956.
rabbit LD50 subcutaneous 170ug/kg (0.17mg/kg)   Annales Pharmaceutiques Francaises. Vol. 14, Pg. 783, 1956.
rat LD50 subcutaneous 920ug/kg (0.92mg/kg)   Annales Pharmaceutiques Francaises. Vol. 14, Pg. 783, 1956.