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Substance Name: 2-Propanol, 1-(o-cyclopropylphenoxy)-3-(diethylamino)-, cyclohexanesulfamate
RN: 29680-45-3
InChIKey: KVXDCCSCBRFQLX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O2.C6-H13-N-O3-S

Molecular Weight

  • 442.617
 
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Names and Synonyms

Synonym

  • 1-(o-Cyclopropylphenoxy)-3-(diethylamino)-2-propanol cyclohexanesulfamate

Systematic Name

  • 2-Propanol, 1-(o-cyclopropylphenoxy)-3-(diethylamino)-, cyclohexanesulfamate

Registry Numbers

CAS Registry Number

  • 29680-45-3

System Generated Number

  • 0029680453

Molecular Formulas

Molecular Formula

  • C16-H25-N-O2.C6-H13-N-O3-S

Molecular Formula Fragments

  • C16-H25-N-O2
  • C6-H13-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO2.C6H13NO3S/c1-3-17(4-2)11-14(18)12-19-16-8-6-5-7-15(16)13-9-10-13;8-11(9,10)7-6-4-2-1-3-5-6/h5-8,13-14,18H,3-4,9-12H2,1-2H3;6-7H,1-5H2,(H,8,9,10)

InChIKey

KVXDCCSCBRFQLX-UHFFFAOYSA-N

Smiles

C(Oc1c(C2CC2)cccc1)[C@@H](CN(CC)CC)O.S(=O)(=O)(O)NC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 168mg/kg (168mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 971, 1970.