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Substance Name: Benzhydrol, 2-(3-(diethylamino)propoxy)-, hydrogen phosphate
RN: 10429-32-0
InChIKey: QVVCHDCAVRHOAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O2.H3-O4-P

Molecular Weight

  • 411.432
 
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Names and Synonyms

Synonym

  • 2-(3-(Diethylamino)propoxy)benzhydrol hydrogen phosphate

Systematic Name

  • Benzhydrol, 2-(3-(diethylamino)propoxy)-, hydrogen phosphate

Registry Numbers

CAS Registry Number

  • 10429-32-0

System Generated Number

  • 0010429320

Molecular Formulas

Molecular Formula

  • C20-H27-N-O2.H3-O4-P

Molecular Formula Fragments

  • C20-H27-N-O2
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C20H27NO2.H3O4P/c1-3-21(4-2)15-10-16-23-19-14-9-8-13-18(19)20(22)17-11-6-5-7-12-17;1-5(2,3)4/h5-9,11-14,20,22H,3-4,10,15-16H2,1-2H3;(H3,1,2,3,4)

InChIKey

QVVCHDCAVRHOAT-UHFFFAOYSA-N

Smiles

c1(ccccc1OCCCN(CC)CC)[C@@H](c1ccccc1)O.P(=O)(O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.