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Substance Name: Carbamic acid, (2-chloroethyl)-, 2-methyl-2-propyltrimethylene ester
RN: 25648-67-3
InChIKey: VQPXUQSWNNJBIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H24-Cl2-N2-O4

Molecular Weight

  • 343.249
 
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Names and Synonyms

Synonym

  • (2-Chloroethyl)carbamic acid 2-methyl-2-propyltrimethylene ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25648-67-3

System Generated Number

  • 0025648673

Structure Descriptors

InChI

1S/C13H24Cl2N2O4/c1-9(2)11(21-13(19)17-7-5-15)10(3)8-20-12(18)16-6-4-14/h9-11H,4-8H2,1-3H3,(H,16,18)(H,17,19)

InChIKey

VQPXUQSWNNJBIB-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](C(C)C)OC(NCCCl)=O)C)OC(NCCCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.