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

Details

Stereochemistry UNKNOWN
Molecular Formula C10H14N2O4
Molecular Weight 226.2292
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALOFANE

SMILES

CC1CC(CC=C)(C(=O)NC(N)=O)C(=O)O1

InChI

InChIKey=LVJAHKSVOQLCEV-UHFFFAOYSA-N
InChI=1S/C10H14N2O4/c1-3-4-10(7(13)12-9(11)15)5-6(2)16-8(10)14/h3,6H,1,4-5H2,2H3,(H3,11,12,13,15)

HIDE SMILES / InChI

Molecular Formula C10H14N2O4
Molecular Weight 226.2292
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:48:36 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:36 UTC 2023
Record UNII
X71N6E5IPO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALOFANE
INN  
INN  
Official Name English
valofane [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29756
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2104479
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
SMS_ID
100000079067
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
INN
4055
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID20863139
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
FDA UNII
X71N6E5IPO
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
CAS
3258-51-3
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
WIKIPEDIA
VALOFANE
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
ECHA (EC/EINECS)
221-857-9
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
MESH
C000192
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
PUBCHEM
71122
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
NCI_THESAURUS
C76952
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
EVMPD
SUB00011MIG
Created by admin on Fri Dec 15 15:48:36 UTC 2023 , Edited by admin on Fri Dec 15 15:48:36 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY