Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
RN: 104233-81-0
InChIKey: JHBMGZJQVAIXNT-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C14-H23-Cl2-N-O7-P2

Molecular Weight

  • 450.19
 
* 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

Name of Substance

  • 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid

Synonyms

  • (4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutylidene)bis-phosphonic acid
  • 4-(4-(Bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid

Systematic Name

  • Phosphonic acid, (4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutylidene)bis-

Registry Numbers

CAS Registry Number

  • 104233-81-0

System Generated Number

  • 0104233810

Structure Descriptors

InChI

1S/C14H23Cl2NO7P2/c15-8-10-17(11-9-16)13-5-3-12(4-6-13)2-1-7-14(18,25(19,20)21)26(22,23)24/h3-6,18H,1-2,7-11H2,(H2,19,20,21)(H2,22,23,24)

InChIKey

JHBMGZJQVAIXNT-UHFFFAOYSA-N

Smiles

C(CCCc1ccc(cc1)N(CCCl)CCCl)(O)(P(=O)(O)O)P(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 146mg/kg (146mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Cancer Research and Clinical Oncology. Vol. 111, Pg. 209, 1986.