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Substance Name: ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid
RN: 106871-13-0
InChIKey: SBZOGCANHKAYKV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H19-Cl2-N-O7-P2

Molecular Weight

  • 422.136
 
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Names and Synonyms

Name of Substance

  • ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid

Synonyms

  • ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hyd roxymethylene)bis-phosphonic acid
  • 3-(Bis(2-chloroethyl)amino)-4-methylphenyl-hydroxymethanbiphosphonic acid
  • CCRIS 1232

Systematic Names

  • ((3-(Bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethylene)bisphosphonic acid
  • Phosphonic acid, ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethylene)bis-

Registry Numbers

CAS Registry Number

  • 106871-13-0

System Generated Number

  • 0106871130

Structure Descriptors

InChI

1S/C12H19Cl2NO7P2/c1-9-2-3-10(8-11(9)15(6-4-13)7-5-14)12(16,23(17,18)19)24(20,21)22/h2-3,8,16H,4-7H2,1H3,(H2,17,18,19)(H2,20,21,22)

InChIKey

SBZOGCANHKAYKV-UHFFFAOYSA-N

Smiles

C(O)(c1cc(c(cc1)C)N(CCCl)CCCl)(P(=O)(O)O)P(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 88mg/kg (88mg/kg)   Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983-Vol. 6, Pg. 67, 1988.