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Substance Name: Peoniflorin
RN: 23180-57-6
UNII: 21AIQ4EV64
InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

Note

  • From Radix and of Paeonia suffruticosa.

Molecular Formula

  • C23-H28-O11

Molecular Weight

  • 480.4632
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Drug / Therapeutic Agent
  • Natural Product
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Peoniflorin

Synonyms

  • beta-D-Glucopyranoside, (1aS,2R,3aR,5R,5aR,5bS)-5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl
  • CCRIS 6494
  • EINECS 245-476-2
  • NSC 178886
  • Paeonia moutan
  • Paeoniflorin
  • Paeony root
  • Peoniflorin
  • UNII-21AIQ4EV64

Systematic Names

  • 5b-((Benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-lH-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl-beta-D-glucopyranoside
  • beta-D-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, (1aR-(1a-alpha,2-beta,3a-alpha,5-alpha,5a-alpha,5b-alpha))-
  • beta-d-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, (1aR-(1aalpha,2beta,3aalpha,5alpha,5aalpha,5balpha))-
  • Paeoniflorin

Registry Numbers

CAS Registry Number

  • 23180-57-6

FDA UNII

  • 21AIQ4EV64

System Generated Number

  • 0023180576

Structure Descriptors

InChI

1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1

InChIKey

YKRGDOXKVOZESV-WRJNSLSBSA-N

Smiles

C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]4(COC(=O)c5ccccc5)[C@H]3C[C@]24O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3530mg/kg (3530mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 899, 1969.
mouse LD50 intravenous 9530mg/kg (9530mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: SLEEP
Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 899, 1969.