Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nabitan hydrochloride [USAN]
RN: 49637-08-3
UNII: 2F3L1A6VXE
InChIKey: KWXQFOPVLBPXHY-UHFFFAOYSA-N

Classification Codes

  • Analgesic
  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H52-N2-O3.Cl-H

Molecular Weight

  • 585.268
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Nabitan hydrochloride [USAN]

Synonyms

  • 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester monohydrochloride-
  • 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl 1-piperidinebutyrate monohydrochloride
  • Abbott 4056
  • BPP
  • Nabitan HCl
  • Nabitan hydrochloride
  • Nabutan
  • NIB
  • SP 106
  • SP-106
  • UNII-2F3L1A6VXE

Systematic Name

  • 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester monohydrochloride

Registry Numbers

CAS Registry Number

  • 49637-08-3

FDA UNII

  • 2F3L1A6VXE

Related Registry Number

  • 66556-74-9 (Parent)

System Generated Number

  • 0049637083

Molecular Formulas

Molecular Formula

  • C35-H52-N2-O3.Cl-H

Molecular Formula Fragments

  • C35-H52-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H52N2O3.ClH/c1-7-9-11-15-26(3)27(4)28-23-31(39-33(38)16-14-21-36-19-12-10-13-20-36)34-29-25-37(18-8-2)22-17-30(29)35(5,6)40-32(34)24-28;/h2,23-24,26-27H,7,9-22,25H2,1,3-6H3;1H

InChIKey

KWXQFOPVLBPXHY-UHFFFAOYSA-N

Smiles

C=12c3c(cc([C@@H]([C@@H](CCCCC)C)C)cc3OC(CCCN3CCCCC3)=O)OC(C1CC[N@@](C2)CC#C)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 570mg/kg (570mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Drugs of the Future. Vol. 5, Pg. 439, 1980.
rat LD50 oral 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 454, 1976.