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Substance Name: Carbamic acid, (5-((cyclohexylamino)acetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, hydrochloride, hydrate (1:1:1)
RN: 134068-39-6
InChIKey: PDDNNIPVRAJZAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N3-O3.Cl-H.H2-O

Molecular Weight

  • 457.9988
 
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Names and Synonyms

Synonyms

  • 3-Carbethoxyamino-5-cyclohexylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine hydrochloride
  • Ethyl (5-((cyclohexylamino)acetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)carbamate HCl H2O

Systematic Name

  • Carbamic acid, (5-((cyclohexylamino)acetyl)-10,11-dihydro-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 134068-39-6

System Generated Number

  • 0134068396

Molecular Formulas

Molecular Formula

  • C25-H31-N3-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C25-H31-N3-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H31N3O3.ClH/c1-2-31-25(30)27-21-15-14-19-13-12-18-8-6-7-11-22(18)28(23(19)16-21)24(29)17-26-20-9-4-3-5-10-20;/h6-8,11,14-16,20,26H,2-5,9-10,12-13,17H2,1H3,(H,27,30);1H

InChIKey

PDDNNIPVRAJZAT-UHFFFAOYSA-N

Smiles

CCOC(=O)Nc1ccc2c(c1)N(c3ccccc3CC2)C(=O)CNC4CCCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 3700ug/kg (3.7mg/kg)   United States Patent Document. Vol. #5116974,