Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, (E)-2-butenedioate (salt) (2:1)
RN: 72156-35-5
InChIKey: WJLJTTRBQRFGIB-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H38-N2-O2.C4-H4-O4

Molecular Weight

  • 502.6478
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-t-Butylamino-1-phenylethanol fumarate (2:1)
  • 2-Tertiobutylamino-1-phenyl-1-ethanol hemifumarate
  • 2-Tertiobutylamino-1-phenyl-1-ethanol hemifumarate [French]
  • alpha-(((1,1-Dimethylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (salt) (2:1)
  • CRL 40610C

Systematic Name

  • Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, (E)-2-butenedioate (salt) (2:1)

Registry Numbers

CAS Registry Number

  • 72156-35-5

System Generated Number

  • 0072156355

Molecular Formulas

Molecular Formula

  • C24-H38-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C24-H38-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C12H19NO.C4H4O4/c2*1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;5-3(6)1-2-4(7)8/h2*4-8,11,13-14H,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

WJLJTTRBQRFGIB-WXXKFALUSA-N

Smiles

CC(C)(C)NCC(c1ccccc1)O.CC(C)(C)NCC(c1ccccc1)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 188mg/kg (188mg/kg)   European Patent Application. Vol. #0002638,