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Substance Name: Hydrabamine dihydrochloride hydrate
RN: 63087-59-2
InChIKey: FREXZFNEYGUKJO-YMVKTORVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H64-N2.2Cl-H.H2-O

Molecular Weight

  • 687.918
 
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Names and Synonyms

Results Name

  • Hydrabamine dihydrochloride hydrate

Synonyms

  • Ethylenediamine, N,N'-bis(dehydroabietyl)-, dihydrochloride, hydrate (6CI)
  • Hydrabamine dihydrochloride hydrate
  • Hydrabamine HCl hydrate

Systematic Name

  • 1,2-Ethanediamine, N,N'-bis((1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl)-, dihydrochloride, (1R-(1-alpha(1R*,4aS*,10aR*),4a-beta,10a-alpha))-, hydrate

Registry Numbers

CAS Registry Number

  • 63087-59-2

System Generated Number

  • 0063087592

Molecular Formulas

Molecular Formula

  • C42-H64-N2.2Cl-H.H2-O

Molecular Formula Fragments

  • C42-H64-N2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C42H64N2.2ClH.H2O/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;;;/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*1H;1H2/t37-,38-,39-,40-,41+,42+;;;/m0.../s1

InChIKey

FREXZFNEYGUKJO-YMVKTORVSA-N

Smiles

C1[C@](CNCCNC[C@]2([C@H]3[C@@](CCC2)(c2c(CC3)cc(cc2)C(C)C)C)C)(C)[C@H]2[C@](C)(CC1)c1c(cc(cc1)C(C)C)CC2.Cl.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD oral > 2gm/kg (2000mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 315, 1955.
dog LD oral > 594mg/kg (594mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 315, 1955.
mouse LD oral > 4gm/kg (4000mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 315, 1955.
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 315, 1955.
rabbit LD intramuscular > 1gm/kg (1000mg/kg)   Antibiotics and Chemotherapy Vol. 5, Pg. 315, 1955.