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Details

Stereochemistry ACHIRAL
Molecular Formula C6H13N
Molecular Weight 99.1741
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAHYDROAZEPINE

SMILES

C1CCCNCC1

InChI

InChIKey=ZSIQJIWKELUFRJ-UHFFFAOYSA-N
InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2

HIDE SMILES / InChI

Molecular Formula C6H13N
Molecular Weight 99.1741
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Asymmetric dihydroxylation of d-glucose derived alpha,beta-unsaturated ester: synthesis of azepane and nojirimycin analogues.
2004 Jul 9
Structure-based optimization of novel azepane derivatives as PKB inhibitors.
2004 Mar 11
Interactions of novel morpholine and hexamethylene derivatives of anthracycline antibiotics with DNA.
2004 Sep-Oct
A deoxynucleotide derivatization methodology for improving LC-ESI-MS detection.
2005 Apr 15
Sequence specificity of formaldehyde-mediated covalent binding of anthracycline derivatives to DNA.
2005 Jan 1
Molecular dynamics simulations of the amyloid-beta binding alcohol dehydrogenase (ABAD) enzyme.
2008 Nov 1
1-Methyl-3-(3-oxocyclo-hex-1-en-yl)azepan-2-one.
2008 Sep 13
Aminoglycosides: molecular insights on the recognition of RNA and aminoglycoside mimics.
2009 Apr 28
The discovery of azepane sulfonamides as potent 11beta-HSD1 inhibitors.
2009 Aug 15
In vitro and in vivo antitumor activity of platinum(II) complexes with thiosemicarbazones derived from 2-formyl and 2-acetyl pyridine and containing ring incorporated at N(4)-position: synthesis, spectroscopic study and crystal structure of platinum(II) complexes with thiosemicarbazones, potential anticancer agents.
2009 Mar
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:18:01 GMT 2023
Edited
by admin
on Fri Dec 15 18:18:01 GMT 2023
Record UNII
CZD076G73R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAHYDROAZEPINE
Systematic Name English
HOMOPIPERIDINE
Systematic Name English
HEXAMETHYLENIMINE
Common Name English
PERHYDROAZEPINE
Systematic Name English
1-AZACYCLOHEPTANE
Systematic Name English
HEXAMETHYLENEIMINE
HSDB  
Common Name English
HEXAMETHYLENEIMINE [HSDB]
Common Name English
CYCLOHEXAMETHYLENIMINE
Common Name English
NSC-16236
Code English
1H-AZEPINE, HEXAHYDRO-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Azepane
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID1026879
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-875-9
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
FDA UNII
CZD076G73R
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
NSC
16236
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
CHEBI
32616
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
CAS
111-49-9
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
HSDB
562
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
PUBCHEM
8119
Created by admin on Fri Dec 15 18:18:01 GMT 2023 , Edited by admin on Fri Dec 15 18:18:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
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IN-VIVO
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