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Substance Name: Cyclohexanecarboxylic acid, 4-(((aminoiminomethyl)amino)methyl)-, 4-(1,1-dimethylethyl)phenyl ester, monohydrochloride, trans-
RN: 83373-31-3
InChIKey: RBXZATCLMSBPGG-SKKCDYJJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N3-O2.Cl-H

Molecular Weight

  • 367.918
 
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Names and Synonyms

Synonyms

  • NCO 650
  • trans-4-Guanidinomethylcyclohexanecarboxylic acid p-tert-butylphenyl ester hydrochloride

Systematic Name

  • Cyclohexanecarboxylic acid, 4-(((aminoiminomethyl)amino)methyl)-, 4-(1,1-dimethylethyl)phenyl ester, monohydrochloride, trans-

Registry Numbers

CAS Registry Number

  • 83373-31-3

System Generated Number

  • 0083373313

Molecular Formulas

Molecular Formula

  • C19-H29-N3-O2.Cl-H

Molecular Formula Fragments

  • C19-H29-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H29N3O2.ClH/c1-19(2,3)15-8-10-16(11-9-15)24-17(23)14-6-4-13(5-7-14)12-22-18(20)21;/h8-11,13-14H,4-7,12H2,1-3H3,(H4,20,21,22);1H/t13-,14-;

InChIKey

RBXZATCLMSBPGG-SKKCDYJJSA-N

Smiles

CC(c1ccc(cc1)OC(=O)[C@H]2CC[C@@H](CC2)CNC(=N)N)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 10mg/kg (10mg/kg)   Drugs of the Future. Vol. 9, Pg. 589, 1984.