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

Details

Stereochemistry RACEMIC
Molecular Formula C16H20O3
Molecular Weight 260.3282
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXACYPRONE

SMILES

OC(=O)CCC2(CC1=CC=CC=C1)CCCCC2=O

InChI

InChIKey=QQWBGHWKTDIMCX-UHFFFAOYSA-N
InChI=1S/C16H20O3/c17-14-8-4-5-10-16(14,11-9-15(18)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,18,19)

HIDE SMILES / InChI
Name Type Language
HEXACYPRONE
INN  
INN  
Official Name English
hexacyprone [INN]
Common Name English
1-BENZYL-2-OXO-CYCLOHEXANEPROPIONIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C66913
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID80862461
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
INN
2204
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
PUBCHEM
68941
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104368
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
EVMPD
SUB08024MIG
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
CAS
892-01-3
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
NCI_THESAURUS
C83748
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
SMS_ID
100000083953
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY
FDA UNII
H1D0U7HRCG
Created by admin on Fri Dec 15 16:52:38 GMT 2023 , Edited by admin on Fri Dec 15 16:52:38 GMT 2023
PRIMARY