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Substance Name: d-Butaclamol
RN: 56245-67-1
InChIKey: ZZJYIKPMDIWRSN-HWBMXIPRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O

Molecular Weight

  • 361.5259
 
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Names and Synonyms

Results Name

  • d-Butaclamol

Synonyms

  • (+)-Butaclamol
  • d-Butaclamol

Systematic Name

  • 1H-Benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinolin-3-ol, 2,3,4,4a,8,9,13b,14-octahydro-3-(1,1-dimethylethyl)-, (3S-(3-alpha,4a-alpha,13b-beta))-

Registry Numbers

CAS Registry Number

  • 56245-67-1

System Generated Number

  • 0056245671

Structure Descriptors

InChI

1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1

InChIKey

ZZJYIKPMDIWRSN-HWBMXIPRSA-N

Smiles

CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc5cccc([C@@H]2C1)c35

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 401, 1979.