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Substance Name: Rescimetol [INN:JAN]
RN: 73573-42-9
UNII: 25YF317R6S
InChIKey: MMUMZMIKZXSFSD-ADSVITMPSA-N

Classification Codes

  • Antihypertonic
  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H38-N2-O8

Molecular Weight

  • 590.6692
 
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Names and Synonyms

Name of Substance

  • Rescimetol
  • Rescimetol [INN:JAN]

Synonyms

  • 11,17alpha-dimethoxy-16beta-methoxycarbonyl-3beta,20alpha-yohimban-18beta-yl (E)-4-hydroxy-3-methoxycinnamat
  • Methyl O-(4-hydroxy-3-methoxy-trans-cinnamoyl)reserpate
  • Rescimetol
  • Rescimetolum
  • Rescimetolum [INN-Latin]
  • UNII-25YF317R6S
  • WHO 4939

Systematic Names

  • Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate (E)-4-hydroxy-3-methoxycinnamate (ester)
  • Yohimban-16-carboxylic acid, 18-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-11,17-dimethoxy-, methyl ester

Registry Numbers

CAS Registry Number

  • 73573-42-9

FDA UNII

  • 25YF317R6S

System Generated Number

  • 0073573429

Structure Descriptors

InChI

1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3/b10-6+/t19-,23+,25-,28-,30+,32+/m1/s1

InChIKey

MMUMZMIKZXSFSD-ADSVITMPSA-N

Smiles

CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6ccc(O)c(OC)c6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 189mg/kg (189mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.
mouse LD50 intravenous > 40mg/kg (40mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.
mouse LD50 oral > 15gm/kg (15000mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.
mouse LD50 subcutaneous > 15gm/kg (15000mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.
rat LD50 intraperitoneal 210mg/kg (210mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.
rat LD50 intravenous > 20mg/kg (20mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.
rat LD50 oral > 15gm/kg (15000mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.
rat LD50 subcutaneous > 15gm/kg (15000mg/kg)   Drugs in Japan Vol. 6, Pg. APP-22, 1982.