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Substance Name: Benzhydrol, 2-(3-(dimethylamino)propoxy)-, hydrogen phosphate
RN: 10429-31-9
InChIKey: QDIVWLXRCAMJTO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O2.H3-O4-P

Molecular Weight

  • 383.378
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 10429-31-9

System Generated Number

  • 0010429319

Molecular Formulas

Molecular Formula

  • C18-H23-N-O2.H3-O4-P

Molecular Formula Fragments

  • C18-H23-N-O2
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C18H23NO2.H3O4P/c1-19(2)13-8-14-21-17-12-7-6-11-16(17)18(20)15-9-4-3-5-10-15;1-5(2,3)4/h3-7,9-12,18,20H,8,13-14H2,1-2H3;(H3,1,2,3,4)

InChIKey

QDIVWLXRCAMJTO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.