Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(1H-pyrrol-2-yl)phenoxy)-, (E)-2-butenedioate (2:1) (salt)
RN: 74303-08-5
InChIKey: PIUBCZGBZJQVPN-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H44-N4-O4.C4-H4-O4

Molecular Weight

  • 664.7952
 
* 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-(2-(3-Isopropylamino-2-hydroxypropoxy)-phenyl)-pyrrol-fumarat-hemihydrat
  • 2-(2-(3-Isopropylamino-2-hydroxypropoxy)-phenyl)-pyrrol-fumarat-hemihydrat [German]

Systematic Name

  • 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(1H-pyrrol-2-yl)phenoxy)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 74303-08-5

System Generated Number

  • 0074303085

Molecular Formulas

Molecular Formula

  • C32-H44-N4-O4.C4-H4-O4

Molecular Formula Fragments

  • C32-H44-N4-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H22N2O2.C4H4O4/c2*1-12(2)18-10-13(19)11-20-16-8-4-3-6-14(16)15-7-5-9-17-15;5-3(6)1-2-4(7)8/h2*3-9,12-13,17-19H,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

PIUBCZGBZJQVPN-WXXKFALUSA-N

Smiles

CC(C)NCC(COc1ccccc1c2ccc[nH]2)O.CC(C)NCC(COc1ccccc1c2ccc[nH]2)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 97200ug/kg (97.2mg/kg)   United States Patent Document. Vol. #4267187,