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Substance Name: allo-Yohimbine
RN: 522-94-1
UNII: 60AHA8MSG9
InChIKey: BLGXFZZNTVWLAY-FJDMERLMSA-N

Molecular Formula

  • C21-H26-N2-O3

Molecular Weight

  • 354.447
 
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Names and Synonyms

Name of Substance

  • allo-Yohimbine

Synonyms

  • Alloyohimbin
  • Alloyohimbine
  • UNII-60AHA8MSG9

Systematic Name

  • Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16-alpha,17-alpha,20-alpha)-

Registry Numbers

CAS Registry Number

  • 522-94-1

FDA UNII

  • 60AHA8MSG9

System Generated Number

  • 0000522941

Structure Descriptors

InChI

1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19-/m1/s1

InChIKey

BLGXFZZNTVWLAY-FJDMERLMSA-N

Smiles

c1ccc2[nH]c3c(c2c1)CC[N@@]1C[C@@H]2[C@H](C[C@@H]31)[C@H]([C@H](CC2)O)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2500mg/kg (2500mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 317, 1948.