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Substance Name: Dalvastatin
RN: 135910-20-2
InChIKey: VDSBXXDKCUBMQC-HNGSOEQISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-F-O3

Molecular Weight

  • 386.504
 
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Names and Synonyms

Name of Substance

  • Dalvastatin

Systematic Names

  • 2H-Pyran-2-one, 6-((1E)-2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)tetrahydro-4-hydroxy-, (4R,6S)-
  • 2H-Pyran-2-one, tetrahydro-6-(2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)-4-hydroxy-, (4R-(4-alpha,6-beta(E)))-

Registry Numbers

CAS Registry Number

  • 135910-20-2

System Generated Number

  • 0135910202

Structure Descriptors

InChI

1S/C24H31FO3/c1-15-10-16(6-9-21(15)25)19-13-23(2,3)14-24(4,5)20(19)8-7-18-11-17(26)12-22(27)28-18/h6-10,17-18,26H,11-14H2,1-5H3/b8-7+/t17-,18-/m1/s1

InChIKey

VDSBXXDKCUBMQC-HNGSOEQISA-N

Smiles

C1(C)(CC(C)(C)C(\C=C\[C@@H]2C[C@H](CC(O2)=O)O)=C(c2ccc(F)c(C)c2)C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 17, Pg. 377, 1992.
mouse LD50 intraperitoneal 640mg/kg (640mg/kg)   Drugs of the Future. Vol. 17, Pg. 377, 1992.
rat LD oral > 4gm/kg (4000mg/kg)   Drugs of the Future. Vol. 17, Pg. 377, 1992.
rat LD50 intraperitoneal 1620mg/kg (1620mg/kg)   Drugs of the Future. Vol. 17, Pg. 377, 1992.