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Substance Name: Cinchonan-6',9-diol, 6'-benzoate, (9S)- (9CI)
RN: 77539-57-2
InChIKey: RMIORKZWPHXLKV-UHFFFAOYSA-N

Molecular Formula

  • C26-H26-N2-O3

Molecular Weight

  • 414.5024
 
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Names and Synonyms

Synonym

  • 6'-Benzoyloxycincholine

Systematic Names

  • Cinchonan-6',9-diol, 6'-benzoate, (9S)- (9CI)
  • Cinchonine, 6'-hydroxy-, 6'-benzoate

Registry Numbers

CAS Registry Number

  • 77539-57-2

System Generated Number

  • 0077539572

Structure Descriptors

InChI

1S/C26H26N2O3/c1-2-17-16-28-13-11-19(17)14-24(28)25(29)21-10-12-27-23-9-8-20(15-22(21)23)31-26(30)18-6-4-3-5-7-18/h2-10,12,15,17,19,24-25,29H,1,11,13-14,16H2

InChIKey

RMIORKZWPHXLKV-UHFFFAOYSA-N

Smiles

OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC(=O)c5ccccc5)cc34

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2299mg/kg (2299mg/kg) SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

SENSE ORGANS AND SPECIAL SENSES: TINNITUS: EAR
Toxicology. Vol. 16, Pg. 73, 1980.