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Substance Name: AA-497
RN: 65860-38-0
UNII: 0J8PCC254F
InChIKey: GUXIVSFTPDBQRU-KYSPHBLOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O3.Cl-H.3/2H2-O

Molecular Weight

  • 287.7848
 
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Names and Synonyms

Name of Substance

  • AA-497

Synonyms

  • AA-497
  • trans-6-Hydroxy-5-hydroxymethyl-2-isopropylamino-1,2,3,4-tetrahydro-1-naphthalenol HCl 3/2H2O
  • UNII-0J8PCC254F

Systematic Names

  • 1,6-Naphthalenediol, 1,2,3,4-tetrahydro-5-(hydroxymethyl)-2-((1-methylethyl)amino)-, hydrochloride, trans-
  • 1,6-Naphthalenediol, 1,2,3,4-tetrahydro-5-(hydroxymethyl)-2-(isopropylamino)-, hydrochloride, sesquihydrate, trans-

Registry Numbers

CAS Registry Number

  • 65860-38-0

FDA UNII

  • 0J8PCC254F

System Generated Number

  • 0065860380

Molecular Formulas

Molecular Formula

  • C14-H21-N-O3.Cl-H.3/2H2-O

Molecular Formula Fragments

  • C14-H21-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H21NO3.ClH/c1-8(2)15-12-5-3-9-10(14(12)18)4-6-13(17)11(9)7-16;/h4,6,8,12,14-18H,3,5,7H2,1-2H3;1H/t12-,14-;/m0./s1

InChIKey

GUXIVSFTPDBQRU-KYSPHBLOSA-N

Smiles

Cl.CC(C)N[C@H]1CCc2c(CO)c(O)ccc2[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 113mg/kg (113mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 276, 1980.
guinea pig LD50 oral 4564mg/kg (4564mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 276, 1980.
mouse LD50 intravenous 132mg/kg (132mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 276, 1980.
mouse LD50 oral 4984mg/kg (4984mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 276, 1980.