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Substance Name: Cinchophyllamine
RN: 10438-16-1
InChIKey: MKRBLBZRPCFROB-IUSJDPGBSA-N

Molecular Formula

  • C31-H36-N4-O2

Molecular Weight

  • 496.6514
 
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Names and Synonyms

Results Name

  • Cinchophyllamine

Synonyms

  • 3-beta,17-beta-Cinchophylline
  • Cinchophyllamine

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)-, (3-beta,16(R))-

Registry Numbers

CAS Registry Number

  • 10438-16-1

System Generated Number

  • 0010438161

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/t18-,19+,28+,29+/m0/s1

InChIKey

MKRBLBZRPCFROB-IUSJDPGBSA-N

Smiles

COc1ccc2c(c1)c3c([nH]2)[C@H](NCC3)C[C@@H]4C[C@@H]5c6c(c7cc(ccc7[nH]6)OC)CCN5C[C@@H]4C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 70800ug/kg (70.8mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 268, Pg. 441, 1969.
mouse LD50 intraperitoneal 56500ug/kg (56.5mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 268, Pg. 441, 1969.
mouse LD50 intravenous 66800ug/kg (66.8mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 268, Pg. 441, 1969.