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Substance Name: Cinchophylline
RN: 1355-62-0
InChIKey: MKRBLBZRPCFROB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H36-N4-O2

Molecular Weight

  • 496.651
 
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Names and Synonyms

Results Name

  • Cinchophylline

Synonyms

  • 3-alpha,17-beta-Cinchophylline
  • 3alpha,17beta-Cinchophylline
  • Cinchophylline

Systematic Name

  • 17-Norcorynan, 18,19-didehydro-10-methoxy-16-(2,3,4,9-tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-yl)-, (16(R))-

Registry Numbers

CAS Registry Number

  • 1355-62-0

System Generated Number

  • 0001355620

Structure Descriptors

InChI

1S/C31H36N4O2/c1-4-18-17-35-12-10-23-25-16-21(37-3)6-8-27(25)34-31(23)29(35)14-19(18)13-28-30-22(9-11-32-28)24-15-20(36-2)5-7-26(24)33-30/h4-8,15-16,18-19,28-29,32-34H,1,9-14,17H2,2-3H3

InChIKey

MKRBLBZRPCFROB-UHFFFAOYSA-N

Smiles

c1(OC)ccc2c(c1)c1c([C@@H]3[N@@](CC1)C[C@@H](C=C)[C@@H](C[C@@H]1NCCc4c1[nH]c1c4cc(cc1)OC)C3)[nH]2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 81400ug/kg (81.4mg/kg)   Annales Pharmaceutiques Francaises. Vol. 27, Pg. 397, 1969.
mouse LD50 intraperitoneal 82500ug/kg (82.5mg/kg)   Annales Pharmaceutiques Francaises. Vol. 27, Pg. 397, 1969.
mouse LD50 intravenous 57500ug/kg (57.5mg/kg)   Annales Pharmaceutiques Francaises. Vol. 27, Pg. 397, 1969.