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Substance Name: Pristimerin
RN: 1258-84-0
UNII: 28ZK7PR57S
InChIKey: JFACETXYABVHFD-WXPPGMDDSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C30-H40-O4

Molecular Weight

  • 464.642
 
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Names and Synonyms

Name of Substance

  • Pristimerin

Synonyms

  • Celastrol-methylether
  • Pristimerin
  • UNII-28ZK7PR57S

Systematic Names

  • 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester
  • D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 1258-84-0

FDA UNII

  • 28ZK7PR57S

System Generated Number

  • 0001258840

Structure Descriptors

InChI

1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1

InChIKey

JFACETXYABVHFD-WXPPGMDDSA-N

Smiles

C1[C@H]2[C@@]3([C@@](CC[C@@]2(C)CC[C@@]1(C(OC)=O)C)(C=1[C@](CC3)(C)C=2C(=CC1)C(=C(C(C2)=O)O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 90, 1982.
mouse LD50 oral 8gm/kg (8000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 90, 1982.
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 90, 1982.