U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C22H31NO3
Molecular Weight 357.4864
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMICIBONE

SMILES

O=C(OCC1=CC=CC=C1)C3(CCN2CCCCCC2)CCCCC3=O

InChI

InChIKey=JGAVKVSEQOCHBG-UHFFFAOYSA-N
InChI=1S/C22H31NO3/c24-20-12-6-7-13-22(20,14-17-23-15-8-1-2-9-16-23)21(25)26-18-19-10-4-3-5-11-19/h3-5,10-11H,1-2,6-9,12-18H2

HIDE SMILES / InChI
Name Type Language
AMICIBONE
INN   MI  
INN  
Official Name English
amicibone [INN]
Common Name English
BENZYL-1-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL)-2-OXOCYCLOHEXANECARBOXYLATE
Systematic Name English
AMICIBONE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66917
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID10865086
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
EVMPD
SUB05423MIG
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
NCI_THESAURUS
C90773
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105937
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
FDA UNII
741ZW9MD1G
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
CAS
23271-63-8
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
MERCK INDEX
m30
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY Merck Index
SMS_ID
100000087200
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
INN
2247
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY
PUBCHEM
31793
Created by admin on Sat Dec 16 15:59:24 GMT 2023 , Edited by admin on Sat Dec 16 15:59:24 GMT 2023
PRIMARY