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Substance Name: Cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, 3-acetate, (3-alpha,9S)-
RN: 85365-53-3
InChIKey: OAUDKHPYEZVLMK-OEHXVTRGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O4

Molecular Weight

  • 384.4732
 
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Names and Synonyms

Synonyms

  • (3-alpha,9S)-10,11-Dihydro-6'-methoxycinchonan-3,9-diol 3-acetate
  • Hydroxy-3R O-acetyl dihydro-10,11 quinidine
  • Hydroxy-3R O-acetyl dihydro-10,11 quinidine [French]

Systematic Name

  • Cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, 3-acetate, (3-alpha,9S)-

Registry Numbers

CAS Registry Number

  • 85365-53-3

System Generated Number

  • 0085365533

Structure Descriptors

InChI

1S/C22H28N2O4/c1-4-22(28-14(2)25)13-24-10-8-15(22)11-20(24)21(26)17-7-9-23-19-6-5-16(27-3)12-18(17)19/h5-7,9,12,15,20-21,26H,4,8,10-11,13H2,1-3H3/t15?,20-,21+,22+/m1/s1

InChIKey

OAUDKHPYEZVLMK-OEHXVTRGSA-N

Smiles

CC[C@@]1(CN2CCC1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   European Patent Application. Vol. #0066489,
mouse LD50 intravenous 90mg/kg (90mg/kg)   European Patent Application. Vol. #0066489,
mouse LD50 oral 850mg/kg (850mg/kg)   European Patent Application. Vol. #0066489,
rat LD50 oral 600mg/kg (600mg/kg)   European Patent Application. Vol. #0066489,