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Substance Name: Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-
RN: 92700-02-2
InChIKey: BVLNFTAVPDUETK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-Cl2-N-O3

Molecular Weight

  • 334.241
 
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Names and Synonyms

Synonyms

  • 4-13-00-01049 (Beilstein Handbook Reference)
  • 5-(p-(Bis(2-chloroethyl)amino)phenoxy)valeric acid
  • BRN 3403648
  • CB 1378
  • NSC 260458
  • Pentanoic acid, 5-(4-(bis(2-chloroethyl)amino)phenoxy)-

Systematic Name

  • Valeric acid, 5-(p-(bis(2-chloroethyl)amino)phenoxy)-

Registry Numbers

CAS Registry Number

  • 92700-02-2

System Generated Number

  • 0092700022

Structure Descriptors

InChI

1S/C15H21Cl2NO3/c16-8-10-18(11-9-17)13-4-6-14(7-5-13)21-12-2-1-3-15(19)20/h4-7H,1-3,8-12H2,(H,19,20)

InChIKey

BVLNFTAVPDUETK-UHFFFAOYSA-N

Smiles

C(=O)(O)CCCCOc1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 16mg/kg (16mg/kg)   Biochemical Pharmacology. Vol. 5, Pg. 192, 1960.