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Substance Name: Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
RN: 25649-06-3
InChIKey: QPXMYSSLKJTDLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H30-Cl4-N2-O4

Molecular Weight

  • 468.246
 
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Names and Synonyms

Synonyms

  • Bis(2-chloroethyl)carbamic acid 2-methyl-2-propyltrimethylene ester
  • BRN 3069622

Systematic Name

  • Carbamic acid, bis(2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester

Registry Numbers

CAS Registry Number

  • 25649-06-3

System Generated Number

  • 0025649063

Structure Descriptors

InChI

1S/C17H30Cl4N2O4/c1-13(2)15(27-17(25)23(10-6-20)11-7-21)14(3)12-26-16(24)22(8-4-18)9-5-19/h13-15H,4-12H2,1-3H3

InChIKey

QPXMYSSLKJTDLW-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](C(C)C)OC(N(CCCl)CCCl)=O)C)OC(N(CCCl)CCCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 620mg/kg (620mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.