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Substance Name: Carbazic acid, 3-isopropyl-, 2-methyl-2-propyltrimethylene ester, dihydrochloride
RN: 25652-05-5
InChIKey: NOJFWTIBMQVNEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H32-N4-O4.2Cl-H

Molecular Weight

  • 405.364
 
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Names and Synonyms

Synonym

  • 3-Isopropylcarbazic acid 2-methyl-2-propyltrimethylene ester dihydrochloride

Systematic Name

  • Carbazic acid, 3-isopropyl-, 2-methyl-2-propyltrimethylene ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 25652-05-5

System Generated Number

  • 0025652055

Molecular Formulas

Molecular Formula

  • C15-H32-N4-O4.2Cl-H

Molecular Formula Fragments

  • C15-H32-N4-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H32N4O4.2ClH/c1-9(2)13(23-15(21)19-17-11(5)6)12(7)8-22-14(20)18-16-10(3)4;;/h9-13,16-17H,8H2,1-7H3,(H,18,20)(H,19,21);2*1H

InChIKey

NOJFWTIBMQVNEE-UHFFFAOYSA-N

Smiles

C(OC(NNC(C)C)=O)[C@@H](C)[C@@H](C(C)C)OC(NNC(C)C)=O.Cl.Cl

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.