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Substance Name: Protoverine
RN: 76-45-9
UNII: Q4Z41I047R
InChIKey: CKJAABZFXLMMCS-MKKPLVDTSA-N

Molecular Formula

  • C27-H43-N-O9

Molecular Weight

  • 525.6347
 
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Names and Synonyms

Name of Substance

  • Protoverine

Synonyms

  • 4-21-00-06841 (Beilstein Handbook Reference)
  • 6-alpha-Hydroxygermine
  • BRN 0099696
  • Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, (3beta,4alpha,6alpha,7alpha,15alpha,16beta)-
  • Protoverine
  • UNII-Q4Z41I047R

Systematic Name

  • Cevane-3-beta,4-beta,6-alpha,7-alpha,14,15-alpha,16-beta,20-octol, 4,9-epoxy-

Registry Numbers

CAS Registry Number

  • 76-45-9

FDA UNII

  • Q4Z41I047R

System Generated Number

  • 0000076459

Structure Descriptors

InChI

InChI=1S/C27H43NO9/c1-11-4-5-14-24(3,34)16-12(10-28(14)9-11)13-8-25-21(26(13,35)22(33)17(16)30)19(32)18(31)20-23(25,2)7-6-15(29)27(20,36)37-25/h11-22,29-36H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1

InChIKey

CKJAABZFXLMMCS-MKKPLVDTSA-N

Smiles

C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@]56O[C@]7(O)[C@@H](O)CC[C@@]5(C)[C@@H]7[C@@H](O)[C@@H](O)[C@H]6[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 520mg/kg (520mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 113, Pg. 89, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 221 deg C   EXP
log P (octanol-water) 2.290 (none)   EST
Atmospheric OH Rate Constant 1.42E-10 cm3/molecule-sec 25 EST

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